7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide

C34H37F2N5O5S — CID 174316609

About 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide

7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 174316609) has the molecular formula C34H37F2N5O5S and a molecular weight of 665.76 g/mol. Its IUPAC name is 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

• Compound Name: 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
• PubChem CID: 174316609
• Molecular Formula: C34H37F2N5O5S
• Molecular Weight: 665.76 g/mol
• Exact Mass: 665.25
• IUPAC Name: 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide
• SMILES: O=C(NS(=O)(=O)c1cccc(C2CCCCC2)c1)C1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC12CN(C(=O)[C@H]1CC1(F)F)C2
• InChI: InChI=1S/C34H37F2N5O5S/c35-34(36)15-28(34)32(44)40-21-33(22-40)20-39(31(43)26-16-37-41(18-26)17-23-8-3-1-4-9-23)19-29(33)30(42)38-47(45,46)27-13-7-12-25(14-27)24-10-5-2-6-11-24/h1,3-4,7-9,12-14,16,18,24,28-29H,2,5-6,10-11,15,17,19-22H2,(H,38,42)/t28-,29?/m1/s1
• InChIKey: NEYAIKZUXKRYLK-FICMROCWSA-N
• XLogP: 4.04
• TPSA: 121.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.76
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?

The IUPAC name of 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide (CID 174316609) is 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide.

What is the SMILES notation for 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?

The canonical SMILES for 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide is O=C(NS(=O)(=O)c1cccc(C2CCCCC2)c1)C1CN(C(=O)c2cnn(Cc3ccccc3)c2)CC12CN(C(=O)[C@H]1CC1(F)F)C2.

What is the InChIKey of 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?

The InChIKey is NEYAIKZUXKRYLK-FICMROCWSA-N. The full InChI is InChI=1S/C34H37F2N5O5S/c35-34(36)15-28(34)32(44)40-21-33(22-40)20-39(31(43)26-16-37-41(18-26)17-23-8-3-1-4-9-23)19-29(33)30(42)38-47(45,46)27-13-7-12-25(14-27)24-10-5-2-6-11-24/h1,3-4,7-9,12-14,16,18,24,28-29H,2,5-6,10-11,15,17,19-22H2,(H,38,42)/t28-,29?/m1/s1.

What are the key properties of 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide?

7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 665.76 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-benzylpyrazole-4-carbonyl)-N-(3-cyclohexylphenyl)sulfonyl-2-[(1R)-2,2-difluorocyclopropanecarbonyl]-2,7-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 174316609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).