1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one

C113H124F6N16O4 — CID 159693164

IUPAC1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC1CCC(N2CCC3(C2)C(=O)N(Cc2ccc(-c4cnn(C)c4)cc2F)c2ccccc23)CC1.CC1CCCC1N1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCC(F)(F)CC5)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C29H33FN4O.C28H29F3N4O.2C28H31FN4O/c1-20-7-11-24(12-8-20)33-14-13-29(19-33)25-5-3-4-6-27(25)34(28(29)35)18-22-10-9-21(15-26(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;1-19-6-5-9-25(19)32-13-12-28(18-32)23-7-3-4-8-26(23)33(27(28)34)17-21-11-10-20(14-24(21)29)22-15-30-31(2)16-22;1-19-23(17-31(2)30-19)20-11-12-21(25(29)15-20)16-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h3-6,9-10,15-17,20,24H,7-8,11-14,18-19H2,1-2H3;2-7,14-16,22H,8-13,17-18H2,1H3;3-4,7-8,10-11,14-16,19,25H,5-6,9,12-13,17-18H2,1-2H3;5-6,9-12,15,17,22H,3-4,7-8,13-14,16,18H2,1-2H3
InChIKeyMWRANQQOVKEYAB-UHFFFAOYSA-N
MW1884.33 g/mol
LogP20.46
Rot. Bonds16

About 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one

1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 159693164) has the molecular formula C113H124F6N16O4 and a molecular weight of 1884.33 g/mol. Its IUPAC name is 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID159693164
Molecular FormulaC113H124F6N16O4
Molecular Weight1884.33 g/mol
Exact Mass1882.99
IUPAC Name1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC1CCC(N2CCC3(C2)C(=O)N(Cc2ccc(-c4cnn(C)c4)cc2F)c2ccccc23)CC1.CC1CCCC1N1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCC(F)(F)CC5)C4)c4ccccc43)c(F)c2)cn1
InChIInChI=1S/C29H33FN4O.C28H29F3N4O.2C28H31FN4O/c1-20-7-11-24(12-8-20)33-14-13-29(19-33)25-5-3-4-6-27(25)34(28(29)35)18-22-10-9-21(15-26(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;1-19-6-5-9-25(19)32-13-12-28(18-32)23-7-3-4-8-26(23)33(27(28)34)17-21-11-10-20(14-24(21)29)22-15-30-31(2)16-22;1-19-23(17-31(2)30-19)20-11-12-21(25(29)15-20)16-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h3-6,9-10,15-17,20,24H,7-8,11-14,18-19H2,1-2H3;2-7,14-16,22H,8-13,17-18H2,1H3;3-4,7-8,10-11,14-16,19,25H,5-6,9,12-13,17-18H2,1-2H3;5-6,9-12,15,17,22H,3-4,7-8,13-14,16,18H2,1-2H3
InChIKeyMWRANQQOVKEYAB-UHFFFAOYSA-N
XLogP20.46
TPSA165.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.33
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one with MolForge

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Related Compounds

1'-Cyclopentyl-1-[[2,6-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71568900
1'-Cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71569052
1'-(Cyclohexanecarbonyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571064
1'-Cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571210
1'-Cyclopentyl-1-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71568901
1'-Cyclopentyl-1-[[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571211
1'-Cyclopentyl-1-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71571212
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566197
1'-Cyclopentyl-1-[[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566203
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566204
1'-(4,4-Difluorocyclohexyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566210
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566213

Frequently Asked Questions

What is the IUPAC name of 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 159693164) is 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC1CCC(N2CCC3(C2)C(=O)N(Cc2ccc(-c4cnn(C)c4)cc2F)c2ccccc23)CC1.CC1CCCC1N1CCC2(C1)C(=O)N(Cc1ccc(-c3cnn(C)c3)cc1F)c1ccccc12.Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C4CCCC4)C3)c3ccccc32)c(F)c1.Cn1cc(-c2ccc(CN3C(=O)C4(CCN(C5CCC(F)(F)CC5)C4)c4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MWRANQQOVKEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O.C28H29F3N4O.2C28H31FN4O/c1-20-7-11-24(12-8-20)33-14-13-29(19-33)25-5-3-4-6-27(25)34(28(29)35)18-22-10-9-21(15-26(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;1-19-6-5-9-25(19)32-13-12-28(18-32)23-7-3-4-8-26(23)33(27(28)34)17-21-11-10-20(14-24(21)29)22-15-30-31(2)16-22;1-19-23(17-31(2)30-19)20-11-12-21(25(29)15-20)16-33-26-10-6-5-9-24(26)28(27(33)34)13-14-32(18-28)22-7-3-4-8-22/h3-6,9-10,15-17,20,24H,7-8,11-14,18-19H2,1-2H3;2-7,14-16,22H,8-13,17-18H2,1H3;3-4,7-8,10-11,14-16,19,25H,5-6,9,12-13,17-18H2,1-2H3;5-6,9-12,15,17,22H,3-4,7-8,13-14,16,18H2,1-2H3.
What are the key properties of 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 1884.33 g/mol, XLogP of 20.46, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopentyl-1-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]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-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(4-methylcyclohexyl)spiro[indole-3,3'-pyrrolidine]-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1'-(2-methylcyclopentyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 159693164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).