N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C32H43N5O4S — CID 134398999

About N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134398999) has the molecular formula C32H43N5O4S and a molecular weight of 593.79 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 134398999
• Molecular Formula: C32H43N5O4S
• Molecular Weight: 593.79 g/mol
• Exact Mass: 593.30
• IUPAC Name: N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC[C@]1(C)CN(c2nc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
• InChI: InChI=1S/C32H43N5O4S/c1-9-32(8)20-29(2,3)36(21-32)27-23(28(38)35-42(39,40)22-13-11-10-12-14-22)15-16-25(33-27)37-18-17-26(34-37)41-19-24-30(4,5)31(24,6)7/h10-18,24H,9,19-21H2,1-8H3,(H,35,38)/t32-/m0/s1
• InChIKey: YDGNVZVWKAJZBW-YTTGMZPUSA-N
• XLogP: 5.85
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.79
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134398999) is N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC[C@]1(C)CN(c2nc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.

What is the InChIKey of N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is YDGNVZVWKAJZBW-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H43N5O4S/c1-9-32(8)20-29(2,3)36(21-32)27-23(28(38)35-42(39,40)22-13-11-10-12-14-22)15-16-25(33-27)37-18-17-26(34-37)41-19-24-30(4,5)31(24,6)7/h10-18,24H,9,19-21H2,1-8H3,(H,35,38)/t32-/m0/s1.

What are the key properties of N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?

N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 593.79 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134398999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).