(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide

C32H28ClF2N7O3 — CID 166989037

IUPAC(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide
SMILESN#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2ccc3cn[nH]c3c2)C(C(=O)NC2CCC(F)(F)CC2)c2ccccc2Cl)c1
InChIInChI=1S/C32H28ClF2N7O3/c33-24-4-2-1-3-23(24)29(30(44)39-21-9-12-32(34,35)13-10-21)41(22-6-5-20-18-38-40-25(20)16-22)31(45)26-7-8-28(43)42(26)27-15-19(17-36)11-14-37-27/h1-6,11,14-16,18,21,26,29H,7-10,12-13H2,(H,38,40)(H,39,44)/t26-,29?/m0/s1
InChIKeyFIFSSDDXPIMKNN-QUWDGAPNSA-N
MW632.07 g/mol
LogP5.45
Rot. Bonds7

About (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 166989037) has the molecular formula C32H28ClF2N7O3 and a molecular weight of 632.07 g/mol. Its IUPAC name is (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID166989037
Molecular FormulaC32H28ClF2N7O3
Molecular Weight632.07 g/mol
Exact Mass631.19
IUPAC Name(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide
SMILESN#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2ccc3cn[nH]c3c2)C(C(=O)NC2CCC(F)(F)CC2)c2ccccc2Cl)c1
InChIInChI=1S/C32H28ClF2N7O3/c33-24-4-2-1-3-23(24)29(30(44)39-21-9-12-32(34,35)13-10-21)41(22-6-5-20-18-38-40-25(20)16-22)31(45)26-7-8-28(43)42(26)27-15-19(17-36)11-14-37-27/h1-6,11,14-16,18,21,26,29H,7-10,12-13H2,(H,38,40)(H,39,44)/t26-,29?/m0/s1
InChIKeyFIFSSDDXPIMKNN-QUWDGAPNSA-N
XLogP5.45
TPSA135.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.07
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide (CID 166989037) is (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide is N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2ccc3cn[nH]c3c2)C(C(=O)NC2CCC(F)(F)CC2)c2ccccc2Cl)c1.
What is the InChIKey of (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FIFSSDDXPIMKNN-QUWDGAPNSA-N. The full InChI is InChI=1S/C32H28ClF2N7O3/c33-24-4-2-1-3-23(24)29(30(44)39-21-9-12-32(34,35)13-10-21)41(22-6-5-20-18-38-40-25(20)16-22)31(45)26-7-8-28(43)42(26)27-15-19(17-36)11-14-37-27/h1-6,11,14-16,18,21,26,29H,7-10,12-13H2,(H,38,40)(H,39,44)/t26-,29?/m0/s1.
What are the key properties of (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 632.07 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(1H-indazol-6-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166989037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).