[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate

C58H52F4N8O4 — CID 123188397

IUPAC[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCN1CCC2(C1)C(=O)N(Cc1c(F)cc(-c3cccc4nn(CCC(C)(C)OC(=O)N5CCC6(C5)C(=O)N(Cc5c(F)cc(-c7cccc8nn(C)cc78)cc5F)c5ccccc56)cc34)cc1F)c1ccccc12
InChIInChI=1S/C58H52F4N8O4/c1-56(2,19-24-68-30-40-38(12-10-16-50(40)64-68)36-27-47(61)41(48(62)28-36)31-69-51-17-7-5-13-43(51)57(53(69)71)20-22-65(3)33-57)74-55(73)67-23-21-58(34-67)44-14-6-8-18-52(44)70(54(58)72)32-42-45(59)25-35(26-46(42)60)37-11-9-15-49-39(37)29-66(4)63-49/h5-18,25-30H,19-24,31-34H2,1-4H3
InChIKeyRBUMQPMRBPGTEO-UHFFFAOYSA-N
MW1001.10 g/mol
LogP10.43
Rot. Bonds10

About [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate

[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 123188397) has the molecular formula C58H52F4N8O4 and a molecular weight of 1001.10 g/mol. Its IUPAC name is [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Name[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID123188397
Molecular FormulaC58H52F4N8O4
Molecular Weight1001.10 g/mol
Exact Mass1000.40
IUPAC Name[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCN1CCC2(C1)C(=O)N(Cc1c(F)cc(-c3cccc4nn(CCC(C)(C)OC(=O)N5CCC6(C5)C(=O)N(Cc5c(F)cc(-c7cccc8nn(C)cc78)cc5F)c5ccccc56)cc34)cc1F)c1ccccc12
InChIInChI=1S/C58H52F4N8O4/c1-56(2,19-24-68-30-40-38(12-10-16-50(40)64-68)36-27-47(61)41(48(62)28-36)31-69-51-17-7-5-13-43(51)57(53(69)71)20-22-65(3)33-57)74-55(73)67-23-21-58(34-67)44-14-6-8-18-52(44)70(54(58)72)32-42-45(59)25-35(26-46(42)60)37-11-9-15-49-39(37)29-66(4)63-49/h5-18,25-30H,19-24,31-34H2,1-4H3
InChIKeyRBUMQPMRBPGTEO-UHFFFAOYSA-N
XLogP10.43
TPSA109.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.10
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate with MolForge

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Related Compounds

1-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 89566234
1-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 89566236
Tert-butyl 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 89566238
1-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-1'-methylspiro[indole-3,4'-piperidine]-2-one
CID 89566239
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
(4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
CID 157388707
1-Benzyl-1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[azetidine-2,3'-indole]-2'-one;1-benzyl-1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[azetidine-3,3'-indole]-2'-one;1-(4,4-difluorocyclohexyl)-1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[azetidine-3,3'-indole]-2'-one;1'-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1-methylspiro[azetidine-3,3'-indole]-2'-one
CID 157691102
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
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158460730
1'-Benzyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-cyclobutyl-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one;1'-cyclopentyl-1-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]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'-propan-2-ylspiro[indole-3,3'-pyrrolidine]-2-one
CID 159244143
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 159301100
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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate (CID 123188397) is [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate is CN1CCC2(C1)C(=O)N(Cc1c(F)cc(-c3cccc4nn(CCC(C)(C)OC(=O)N5CCC6(C5)C(=O)N(Cc5c(F)cc(-c7cccc8nn(C)cc78)cc5F)c5ccccc56)cc34)cc1F)c1ccccc12.
What is the InChIKey of [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is RBUMQPMRBPGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52F4N8O4/c1-56(2,19-24-68-30-40-38(12-10-16-50(40)64-68)36-27-47(61)41(48(62)28-36)31-69-51-17-7-5-13-43(51)57(53(69)71)20-22-65(3)33-57)74-55(73)67-23-21-58(34-67)44-14-6-8-18-52(44)70(54(58)72)32-42-45(59)25-35(26-46(42)60)37-11-9-15-49-39(37)29-66(4)63-49/h5-18,25-30H,19-24,31-34H2,1-4H3.
What are the key properties of [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
[4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 1001.10 g/mol, XLogP of 10.43, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3,5-difluoro-4-[(1'-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl)methyl]phenyl]indazol-2-yl]-2-methylbutan-2-yl] 1-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 123188397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).