8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide

C28H27F3N4O3 — CID 167594064

About 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide

8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 167594064) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

• Compound Name: 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
• PubChem CID: 167594064
• Molecular Formula: C28H27F3N4O3
• Molecular Weight: 524.54 g/mol
• Exact Mass: 524.20
• IUPAC Name: 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide
• SMILES: CN(C(=O)C1CC2(C1)C(=O)N(c1ccc(C#N)cc1F)CC(=O)N2Cc1ccc(C(C)(F)F)cc1)C1CC1
• InChI: InChI=1S/C28H27F3N4O3/c1-27(30,31)20-6-3-17(4-7-20)15-35-24(36)16-34(23-10-5-18(14-32)11-22(23)29)26(38)28(35)12-19(13-28)25(37)33(2)21-8-9-21/h3-7,10-11,19,21H,8-9,12-13,15-16H2,1-2H3
• InChIKey: IUUXBVBNRYZEKV-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 84.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.54
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?

The IUPAC name of 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide (CID 167594064) is 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide.

What is the SMILES notation for 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?

The canonical SMILES for 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide is CN(C(=O)C1CC2(C1)C(=O)N(c1ccc(C#N)cc1F)CC(=O)N2Cc1ccc(C(C)(F)F)cc1)C1CC1.

What is the InChIKey of 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?

The InChIKey is IUUXBVBNRYZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c1-27(30,31)20-6-3-17(4-7-20)15-35-24(36)16-34(23-10-5-18(14-32)11-22(23)29)26(38)28(35)12-19(13-28)25(37)33(2)21-8-9-21/h3-7,10-11,19,21H,8-9,12-13,15-16H2,1-2H3.

What are the key properties of 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide?

8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 524.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-cyano-2-fluorophenyl)-N-cyclopropyl-5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-5,8-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167594064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).