N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide

C41H59N5O7S — CID 58363319

About N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide

N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 58363319) has the molecular formula C41H59N5O7S and a molecular weight of 766.02 g/mol. Its IUPAC name is N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 58363319
• Molecular Formula: C41H59N5O7S
• Molecular Weight: 766.02 g/mol
• Exact Mass: 765.41
• IUPAC Name: N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide
• SMILES: C=C[C@H]1C[C@@]1(CC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cn[nH]c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)C1CC1
• InChI: InChI=1S/C41H59N5O7S/c1-7-27-19-39(27,36(51)45-54(52,53)28-14-15-28)21-32(48)30-20-41(38(5,6)40(41)16-11-17-40)24-46(30)35(50)29(37(2,3)4)18-31(47)33(25-12-9-8-10-13-25)44-34(49)26-22-42-43-23-26/h7,22-23,25,27-30,33H,1,8-21,24H2,2-6H3,(H,42,43)(H,44,49)(H,45,51)/t27-,29+,30-,33-,39-,41+/m0/s1
• InChIKey: HUJUCRZPRIKGLS-MUDNGVDDSA-N
• XLogP: 5.27
• TPSA: 175.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.02
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide (CID 58363319) is N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide is C=C[C@H]1C[C@@]1(CC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cn[nH]c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)C1CC1.

What is the InChIKey of N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide?

The InChIKey is HUJUCRZPRIKGLS-MUDNGVDDSA-N. The full InChI is InChI=1S/C41H59N5O7S/c1-7-27-19-39(27,36(51)45-54(52,53)28-14-15-28)21-32(48)30-20-41(38(5,6)40(41)16-11-17-40)24-46(30)35(50)29(37(2,3)4)18-31(47)33(25-12-9-8-10-13-25)44-34(49)26-22-42-43-23-26/h7,22-23,25,27-30,33H,1,8-21,24H2,2-6H3,(H,42,43)(H,44,49)(H,45,51)/t27-,29+,30-,33-,39-,41+/m0/s1.

What are the key properties of N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide?

N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 766.02 g/mol, XLogP of 5.27, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[2-[(1S,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 58363319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).