1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one

C85H92F6N12O3 — CID 157166027

About 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one

1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157166027) has the molecular formula C85H92F6N12O3 and a molecular weight of 1443.74 g/mol. Its IUPAC name is 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

• Compound Name: 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one
• PubChem CID: 157166027
• Molecular Formula: C85H92F6N12O3
• Molecular Weight: 1443.74 g/mol
• Exact Mass: 1442.73
• IUPAC Name: 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one
• SMILES: CC1CCCCC1N1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCC(F)(F)CC5)C4)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5F)C4)c4ccccc43)c(F)c2)cn1
• InChI: InChI=1S/C29H33FN4O.C28H29F3N4O.C28H30F2N4O/c1-20-7-3-5-9-26(20)33-14-13-29(19-33)24-8-4-6-10-27(24)34(28(29)35)18-22-12-11-21(15-25(22)30)23-16-31-32(2)17-23;1-33-16-21(15-32-33)19-6-7-20(24(29)14-19)17-35-25-5-3-2-4-23(25)27(26(35)36)12-13-34(18-27)22-8-10-28(30,31)11-9-22;1-32-16-21(15-31-32)19-10-11-20(24(30)14-19)17-34-25-8-4-2-6-22(25)28(27(34)35)12-13-33(18-28)26-9-5-3-7-23(26)29/h4,6,8,10-12,15-17,20,26H,3,5,7,9,13-14,18-19H2,1-2H3;2-7,14-16,22H,8-13,17-18H2,1H3;2,4,6,8,10-11,14-16,23,26H,3,5,7,9,12-13,17-18H2,1H3
• InChIKey: AMXPIJYCCUWNEM-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 124.11 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.74
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one?

The IUPAC name of 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 157166027) is 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one.

What is the SMILES notation for 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one?

The canonical SMILES for 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC1CCCCC1N1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCC(F)(F)CC5)C4)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5F)C4)c4ccccc43)c(F)c2)cn1.

What is the InChIKey of 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one?

The InChIKey is AMXPIJYCCUWNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O.C28H29F3N4O.C28H30F2N4O/c1-20-7-3-5-9-26(20)33-14-13-29(19-33)24-8-4-6-10-27(24)34(28(29)35)18-22-12-11-21(15-25(22)30)23-16-31-32(2)17-23;1-33-16-21(15-32-33)19-6-7-20(24(29)14-19)17-35-25-5-3-2-4-23(25)27(26(35)36)12-13-34(18-27)22-8-10-28(30,31)11-9-22;1-32-16-21(15-31-32)19-10-11-20(24(30)14-19)17-34-25-8-4-2-6-22(25)28(27(34)35)12-13-33(18-28)26-9-5-3-7-23(26)29/h4,6,8,10-12,15-17,20,26H,3,5,7,9,13-14,18-19H2,1-2H3;2-7,14-16,22H,8-13,17-18H2,1H3;2,4,6,8,10-11,14-16,23,26H,3,5,7,9,12-13,17-18H2,1H3.

What are the key properties of 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one?

1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 1443.74 g/mol, XLogP of 15.59, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(4,4-difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-(2-fluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157166027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).