1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide

C34H32F2N6O3 — CID 123156759

About 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide

1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 123156759) has the molecular formula C34H32F2N6O3 and a molecular weight of 610.67 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide
• PubChem CID: 123156759
• Molecular Formula: C34H32F2N6O3
• Molecular Weight: 610.67 g/mol
• Exact Mass: 610.25
• IUPAC Name: 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide
• SMILES: Cc1ccccc1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)C1CCC(=O)N1c1cccc(C#N)c1)c1cccc2cn[nH]c12
• InChI: InChI=1S/C34H32F2N6O3/c1-21-6-2-3-10-26(21)31(32(44)39-24-14-16-34(35,36)17-15-24)42(27-11-5-8-23-20-38-40-30(23)27)33(45)28-12-13-29(43)41(28)25-9-4-7-22(18-25)19-37/h2-11,18,20,24,28,31H,12-17H2,1H3,(H,38,40)(H,39,44)
• InChIKey: DHXTXKCLVPIRIL-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 122.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.67
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide?

The IUPAC name of 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide (CID 123156759) is 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide?

The canonical SMILES for 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide is Cc1ccccc1C(C(=O)NC1CCC(F)(F)CC1)N(C(=O)C1CCC(=O)N1c1cccc(C#N)c1)c1cccc2cn[nH]c12.

What is the InChIKey of 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide?

The InChIKey is DHXTXKCLVPIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N6O3/c1-21-6-2-3-10-26(21)31(32(44)39-24-14-16-34(35,36)17-15-24)42(27-11-5-8-23-20-38-40-30(23)27)33(45)28-12-13-29(43)41(28)25-9-4-7-22(18-25)19-37/h2-11,18,20,24,28,31H,12-17H2,1H3,(H,38,40)(H,39,44).

What are the key properties of 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide?

1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 610.67 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyanophenyl)-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-N-(1H-indazol-7-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 123156759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).