N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide

C24H34N6O5S — CID 140500262

About N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide

N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide (PubChem CID 140500262) has the molecular formula C24H34N6O5S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide
• PubChem CID: 140500262
• Molecular Formula: C24H34N6O5S
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.23
• IUPAC Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide
• SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCC2)NC(=O)N2CC=CN2)C(=O)CN1S(=O)(=O)c1ccccn1
• InChI: InChI=1S/C24H34N6O5S/c1-17-10-11-19(21(31)16-30(17)36(34,35)22-9-4-5-12-25-22)27-23(32)20(15-18-7-2-3-8-18)28-24(33)29-14-6-13-26-29/h4-6,9,12-13,17-20,26H,2-3,7-8,10-11,14-16H2,1H3,(H,27,32)(H,28,33)/t17-,19+,20+/m1/s1
• InChIKey: CUWDJOVKOPCPMX-HOJAQTOUSA-N
• XLogP: 1.30
• TPSA: 140.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide?

The IUPAC name of N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide (CID 140500262) is N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide?

The canonical SMILES for N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide is C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCCC2)NC(=O)N2CC=CN2)C(=O)CN1S(=O)(=O)c1ccccn1.

What is the InChIKey of N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide?

The InChIKey is CUWDJOVKOPCPMX-HOJAQTOUSA-N. The full InChI is InChI=1S/C24H34N6O5S/c1-17-10-11-19(21(31)16-30(17)36(34,35)22-9-4-5-12-25-22)27-23(32)20(15-18-7-2-3-8-18)28-24(33)29-14-6-13-26-29/h4-6,9,12-13,17-20,26H,2-3,7-8,10-11,14-16H2,1H3,(H,27,32)(H,28,33)/t17-,19+,20+/m1/s1.

What are the key properties of N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide?

N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 140500262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).