N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C24H37N7O4S — CID 131989579

About N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 131989579) has the molecular formula C24H37N7O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 131989579
• Molecular Formula: C24H37N7O4S
• Molecular Weight: 519.67 g/mol
• Exact Mass: 519.26
• IUPAC Name: N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)N3CC[C@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)n1
• InChI: InChI=1S/C24H37N7O4S/c1-16(2)15-35-21-9-11-31(27-21)20-7-6-19(22(26-20)30-13-17(3)12-24(30,4)5)23(32)28-36(33,34)29-10-8-18(25)14-29/h6-7,9,11,16-18H,8,10,12-15,25H2,1-5H3,(H,28,32)/t17-,18-/m0/s1
• InChIKey: FBQFDLOLKVXFLP-ROUUACIJSA-N
• XLogP: 1.93
• TPSA: 135.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.67
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 131989579) is N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)N3CC[C@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)n1.

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

The InChIKey is FBQFDLOLKVXFLP-ROUUACIJSA-N. The full InChI is InChI=1S/C24H37N7O4S/c1-16(2)15-35-21-9-11-31(27-21)20-7-6-19(22(26-20)30-13-17(3)12-24(30,4)5)23(32)28-36(33,34)29-10-8-18(25)14-29/h6-7,9,11,16-18H,8,10,12-15,25H2,1-5H3,(H,28,32)/t17-,18-/m0/s1.

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

N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 519.67 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 131989579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).