EcoDrugPlus


Synonyms	Parpi
Status
Molecule Category	Free-form
UNII	OWV057OPZ3

Synonyms

Parpi

Status

Molecule Category

Free-form

UNII

OWV057OPZ3


InChI Key	LTZZZXXIKHHTMO-UHFFFAOYSA-N
Smiles	O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
InChI	InChI=1S/C27H22F2N4O3/c28-19-8-6-18(7-9-19)26(35)32-11-13-33(14-12-32)27(36)22-15-17(5-10-23(22)29)16-24-20-3-1-2-4-21(20)25(34)31-30-24/h1-10,15H,11-14,16H2,(H,31,34)

InChI Key

LTZZZXXIKHHTMO-UHFFFAOYSA-N

Smiles

O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

InChI

InChI=1S/C27H22F2N4O3/c28-19-8-6-18(7-9-19)26(35)32-11-13-33(14-12-32)27(36)22-15-17(5-10-23(22)29)16-24-20-3-1-2-4-21(20)25(34)31-30-24/h1-10,15H,11-14,16H2,(H,31,34)

Property Name	Value
Molecular Formula	C27H22F2N4O3
Molecular Weight	488.49
AlogP	3.39
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	86.37
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C27H22F2N4O3

Molecular Weight

488.49

AlogP

3.39

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

86.37

Molecular species

NEUTRAL

Aromatic Rings

4.0

Heavy Atoms

36.0

Resources	Reference
ChEMBL	CHEMBL4650351
FDA SRS	OWV057OPZ3

Resources

Reference

ChEMBL

CHEMBL4650351

FDA SRS

OWV057OPZ3

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PARPI

Structure

Physicochemical Descriptors

Cross References