2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

C32H35ClN4O4 — CID 163939637

IUPAC2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C32H35ClN4O4/c1-2-28(38)26(14-19-11-12-34-30(19)39)36-31(40)29-22-10-6-9-20(22)17-37(29)32(41)27-16-23-24(33)13-21(15-25(23)35-27)18-7-4-3-5-8-18/h3-5,7-8,13,15-16,19-20,22,26,29,35H,2,6,9-12,14,17H2,1H3,(H,34,39)(H,36,40)
InChIKeyFOXRCSGVZCRKDB-UHFFFAOYSA-N
MW575.11 g/mol
LogP4.72
Rot. Bonds8

About 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (PubChem CID 163939637) has the molecular formula C32H35ClN4O4 and a molecular weight of 575.11 g/mol. Its IUPAC name is 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
PubChem CID163939637
Molecular FormulaC32H35ClN4O4
Molecular Weight575.11 g/mol
Exact Mass574.23
IUPAC Name2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
SMILESCCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C32H35ClN4O4/c1-2-28(38)26(14-19-11-12-34-30(19)39)36-31(40)29-22-10-6-9-20(22)17-37(29)32(41)27-16-23-24(33)13-21(15-25(23)35-27)18-7-4-3-5-8-18/h3-5,7-8,13,15-16,19-20,22,26,29,35H,2,6,9-12,14,17H2,1H3,(H,34,39)(H,36,40)
InChIKeyFOXRCSGVZCRKDB-UHFFFAOYSA-N
XLogP4.72
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.11
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide 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

(1S,3aR,7aS)-2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
CID 166936946
2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936323
2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163957853
2-[4-methoxy-6-(trifluoromethyl)-1H-indole-2-carbonyl]-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163861354
2-(4,7-dichloro-1H-indole-2-carbonyl)-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936769
(3S)-N-[4-chloro-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 175447378
2-[4-(1,1-difluoroethyl)-1H-indole-2-carbonyl]-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936283
2-(4-chloro-7-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxocyclopentyl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 163938315
(3S,3aS,6aR)-2-(4,6-dichloro-1H-indole-2-carbonyl)-N-[4-[2-(2-methylpropoxy)ethylamino]-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936291
2-(4,7-dichloro-5-fluoro-1H-indole-2-carbonyl)-N-[4-hydroxy-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 166936477
(3S,3aS,6aR)-2-(4-cyano-1H-indole-2-carbonyl)-N-[3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 162695924
(3S,3aS,6aR)-N-[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2-[4-(trifluoromethoxy)-1H-indole-2-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 162695274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide (CID 163939637) is 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is CCC(=O)C(CC1CCNC1=O)NC(=O)C1C2CCCC2CN1C(=O)c1cc2c(Cl)cc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is FOXRCSGVZCRKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClN4O4/c1-2-28(38)26(14-19-11-12-34-30(19)39)36-31(40)29-22-10-6-9-20(22)17-37(29)32(41)27-16-23-24(33)13-21(15-25(23)35-27)18-7-4-3-5-8-18/h3-5,7-8,13,15-16,19-20,22,26,29,35H,2,6,9-12,14,17H2,1H3,(H,34,39)(H,36,40).
What are the key properties of 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide?
2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 575.11 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-phenyl-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopyrrolidin-3-yl)pentan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 163939637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).