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-3,4'-piperidine]-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

C114H124F8N16O4 — CID 158243212

IUPAC1'-(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-3,4'-piperidine]-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
SMILESCC1CCCCC1N1CCC2(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.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5F)CC4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C29H32F2N4O.C29H33FN4O.C28H29F3N4O.C28H30F2N4O/c1-33-18-22(17-32-33)20-10-11-21(25(31)16-20)19-35-26-8-4-2-6-23(26)29(28(35)36)12-14-34(15-13-29)27-9-5-3-7-24(27)30;1-20-7-3-5-9-26(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/h2,4,6,8,10-11,16-18,24,27H,3,5,7,9,12-15,19H2,1H3;4,6,8,10-12,15-17,20,26H,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
InChIKeyGFUOSQOPSKXCEX-UHFFFAOYSA-N
MW1934.34 g/mol
LogP20.97
Rot. Bonds16

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-3,4'-piperidine]-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-3,4'-piperidine]-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 158243212) has the molecular formula C114H124F8N16O4 and a molecular weight of 1934.34 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-3,4'-piperidine]-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 Name1'-(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-3,4'-piperidine]-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 CID158243212
Molecular FormulaC114H124F8N16O4
Molecular Weight1934.34 g/mol
Exact Mass1932.99
IUPAC Name1'-(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-3,4'-piperidine]-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
SMILESCC1CCCCC1N1CCC2(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.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5F)CC4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C29H32F2N4O.C29H33FN4O.C28H29F3N4O.C28H30F2N4O/c1-33-18-22(17-32-33)20-10-11-21(25(31)16-20)19-35-26-8-4-2-6-23(26)29(28(35)36)12-14-34(15-13-29)27-9-5-3-7-24(27)30;1-20-7-3-5-9-26(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/h2,4,6,8,10-11,16-18,24,27H,3,5,7,9,12-15,19H2,1H3;4,6,8,10-12,15-17,20,26H,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
InChIKeyGFUOSQOPSKXCEX-UHFFFAOYSA-N
XLogP20.97
TPSA165.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.34
LogP ≤ 520.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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-3,4'-piperidine]-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 with MolForge

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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-3,4'-piperidine]-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-3,4'-piperidine]-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 158243212) 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-3,4'-piperidine]-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-3,4'-piperidine]-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-3,4'-piperidine]-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.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCCCC5F)CC4)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-3,4'-piperidine]-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 GFUOSQOPSKXCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N4O.C29H33FN4O.C28H29F3N4O.C28H30F2N4O/c1-33-18-22(17-32-33)20-10-11-21(25(31)16-20)19-35-26-8-4-2-6-23(26)29(28(35)36)12-14-34(15-13-29)27-9-5-3-7-24(27)30;1-20-7-3-5-9-26(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/h2,4,6,8,10-11,16-18,24,27H,3,5,7,9,12-15,19H2,1H3;4,6,8,10-12,15-17,20,26H,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-3,4'-piperidine]-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-3,4'-piperidine]-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 1934.34 g/mol, XLogP of 20.97, 16 rotatable bonds, 0 hydrogen bond donors, and 16 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-3,4'-piperidine]-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 158243212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).