(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane

C33H32ClF2N5O3 — CID 162125722

IUPAC(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane
SMILESC.N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cccc(C3CC3)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1
InChIInChI=1S/C32H28ClF2N5O3.CH4/c33-25-7-2-1-6-24(25)29(30(42)38-22-16-32(34,35)17-22)39(23-5-3-4-21(15-23)20-8-9-20)31(43)26-10-11-28(41)40(26)27-14-19(18-36)12-13-37-27;/h1-7,12-15,20,22,26,29H,8-11,16-17H2,(H,38,42);1H4/t26-,29-;/m0./s1
InChIKeyZHZMZCVUDXBFOI-IMMIMJPRSA-N
MW620.10 g/mol
LogP6.30
Rot. Bonds8

About (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane

(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane (PubChem CID 162125722) has the molecular formula C33H32ClF2N5O3 and a molecular weight of 620.10 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane
PubChem CID162125722
Molecular FormulaC33H32ClF2N5O3
Molecular Weight620.10 g/mol
Exact Mass619.22
IUPAC Name(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane
SMILESC.N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cccc(C3CC3)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1
InChIInChI=1S/C32H28ClF2N5O3.CH4/c33-25-7-2-1-6-24(25)29(30(42)38-22-16-32(34,35)17-22)39(23-5-3-4-21(15-23)20-8-9-20)31(43)26-10-11-28(41)40(26)27-14-19(18-36)12-13-37-27;/h1-7,12-15,20,22,26,29H,8-11,16-17H2,(H,38,42);1H4/t26-,29-;/m0./s1
InChIKeyZHZMZCVUDXBFOI-IMMIMJPRSA-N
XLogP6.30
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.10
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane 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-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane?
The IUPAC name of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane (CID 162125722) is (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane?
The canonical SMILES for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane is C.N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cccc(C3CC3)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1.
What is the InChIKey of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane?
The InChIKey is ZHZMZCVUDXBFOI-IMMIMJPRSA-N. The full InChI is InChI=1S/C32H28ClF2N5O3.CH4/c33-25-7-2-1-6-24(25)29(30(42)38-22-16-32(34,35)17-22)39(23-5-3-4-21(15-23)20-8-9-20)31(43)26-10-11-28(41)40(26)27-14-19(18-36)12-13-37-27;/h1-7,12-15,20,22,26,29H,8-11,16-17H2,(H,38,42);1H4/t26-,29-;/m0./s1.
What are the key properties of (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane?
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane has a molecular weight of 620.10 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-1-(4-cyano-2-pyridinyl)-N-(3-cyclopropylphenyl)-5-oxopyrrolidine-2-carboxamide;methane is sourced from PubChem (CID 162125722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).