1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide

C17H17FN4O4 — CID 68685877

IUPAC1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(-n3ccncc3=O)cc2F)CC1O
InChIInChI=1S/C17H17FN4O4/c18-12-7-10(22-4-3-20-8-15(22)24)1-2-13(12)21-17(26)9-5-11(16(19)25)14(23)6-9/h1-4,7-9,11,14,23H,5-6H2,(H2,19,25)(H,21,26)
InChIKeyOVSGVNNRWGPUJP-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.18
Rot. Bonds4

About 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide

1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (PubChem CID 68685877) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
PubChem CID68685877
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(-n3ccncc3=O)cc2F)CC1O
InChIInChI=1S/C17H17FN4O4/c18-12-7-10(22-4-3-20-8-15(22)24)1-2-13(12)21-17(26)9-5-11(16(19)25)14(23)6-9/h1-4,7-9,11,14,23H,5-6H2,(H2,19,25)(H,21,26)
InChIKeyOVSGVNNRWGPUJP-UHFFFAOYSA-N
XLogP0.18
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3S,4S)-4-hydroxy-1-N-[4-(2-oxopyrazin-1-yl)phenyl]cyclopentane-1,3-dicarboxamide
CID 68683077
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
(4S)-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxamide
CID 71220095
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306
(4R)-4-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1-methyl-5-N-(4-methylphenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-4,5-dicarboxamide
CID 71081012
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
N-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107595584
(1R,3S,4S)-1-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689609
(1R,3S,4S)-1-N-[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide
CID 68689471
5-chloro-N-[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 58826438
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide (CID 68685877) is 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is NC(=O)C1CC(C(=O)Nc2ccc(-n3ccncc3=O)cc2F)CC1O.
What is the InChIKey of 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
The InChIKey is OVSGVNNRWGPUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c18-12-7-10(22-4-3-20-8-15(22)24)1-2-13(12)21-17(26)9-5-11(16(19)25)14(23)6-9/h1-4,7-9,11,14,23H,5-6H2,(H2,19,25)(H,21,26).
What are the key properties of 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide?
1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide has a molecular weight of 360.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-4-hydroxycyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 68685877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).