N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C29H32F2N6O4S — CID 166761948

About N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 166761948) has the molecular formula C29H32F2N6O4S and a molecular weight of 598.68 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 166761948
• Molecular Formula: C29H32F2N6O4S
• Molecular Weight: 598.68 g/mol
• Exact Mass: 598.22
• IUPAC Name: N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(OCC4(C(C)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1
• InChI: InChI=1S/C29H32F2N6O4S/c1-19-15-27(2,3)36(17-19)25-22(26(38)35-42(39,40)21-7-5-20(16-32)6-8-21)9-10-23(33-25)37-14-11-24(34-37)41-18-29(12-13-29)28(4,30)31/h5-11,14,19H,12-13,15,17-18H2,1-4H3,(H,35,38)/t19-/m0/s1
• InChIKey: IQFVWOAPTUEOLJ-IBGZPJMESA-N
• XLogP: 4.70
• TPSA: 130.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.68
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 166761948) is N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-n3ccc(OCC4(C(C)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1.

What is the InChIKey of N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is IQFVWOAPTUEOLJ-IBGZPJMESA-N. The full InChI is InChI=1S/C29H32F2N6O4S/c1-19-15-27(2,3)36(17-19)25-22(26(38)35-42(39,40)21-7-5-20(16-32)6-8-21)9-10-23(33-25)37-14-11-24(34-37)41-18-29(12-13-29)28(4,30)31/h5-11,14,19H,12-13,15,17-18H2,1-4H3,(H,35,38)/t19-/m0/s1.

What are the key properties of N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 598.68 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyanophenyl)sulfonyl-6-[3-[[1-(1,1-difluoroethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 166761948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).