1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

C32H41BrFN3O2 — CID 142950883

IUPAC1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc2c(cc1C)C1(CCN(C(=O)C3CN(C(C)(C)C)C[C@H]3c3ccc(Br)cc3F)CC1)C(=O)N2C(C)C
InChIInChI=1S/C32H41BrFN3O2/c1-19(2)37-28-15-21(4)20(3)14-26(28)32(30(37)39)10-12-35(13-11-32)29(38)25-18-36(31(5,6)7)17-24(25)23-9-8-22(33)16-27(23)34/h8-9,14-16,19,24-25H,10-13,17-18H2,1-7H3/t24-,25?/m0/s1
InChIKeySHHLUDLCHAGVNL-SKCDSABHSA-N
MW598.60 g/mol
LogP6.33
Rot. Bonds3

About 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 142950883) has the molecular formula C32H41BrFN3O2 and a molecular weight of 598.60 g/mol. Its IUPAC name is 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID142950883
Molecular FormulaC32H41BrFN3O2
Molecular Weight598.60 g/mol
Exact Mass597.24
IUPAC Name1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cc2c(cc1C)C1(CCN(C(=O)C3CN(C(C)(C)C)C[C@H]3c3ccc(Br)cc3F)CC1)C(=O)N2C(C)C
InChIInChI=1S/C32H41BrFN3O2/c1-19(2)37-28-15-21(4)20(3)14-26(28)32(30(37)39)10-12-35(13-11-32)29(38)25-18-36(31(5,6)7)17-24(25)23-9-8-22(33)16-27(23)34/h8-9,14-16,19,24-25H,10-13,17-18H2,1-7H3/t24-,25?/m0/s1
InChIKeySHHLUDLCHAGVNL-SKCDSABHSA-N
XLogP6.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.60
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-N-propan-2-ylacetamide
CID 142950904
1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 58692412
N-[1'-[1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 71127555
N-[2-[1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
CID 58692319
N-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2-fluoro-4-methylphenyl)pyrrolidine-3-carbonyl]-7-chloro-6-methylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 71122205
[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 58692415
N-[2-[(1S)-1'-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-6-chloro-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
CID 58692335
N-[1-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-chloro-4-methylphenyl]ethyl]-N-propan-2-ylacetamide
CID 10008775
(1R)-1'-[(3S)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 58692396
methyl 2-[2-[1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propanoate
CID 69363870
(1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]methanone;N-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 159841185
N-[2-[1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
CID 58692368

Frequently Asked Questions

What is the IUPAC name of 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 142950883) is 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is Cc1cc2c(cc1C)C1(CCN(C(=O)C3CN(C(C)(C)C)C[C@H]3c3ccc(Br)cc3F)CC1)C(=O)N2C(C)C.
What is the InChIKey of 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SHHLUDLCHAGVNL-SKCDSABHSA-N. The full InChI is InChI=1S/C32H41BrFN3O2/c1-19(2)37-28-15-21(4)20(3)14-26(28)32(30(37)39)10-12-35(13-11-32)29(38)25-18-36(31(5,6)7)17-24(25)23-9-8-22(33)16-27(23)34/h8-9,14-16,19,24-25H,10-13,17-18H2,1-7H3/t24-,25?/m0/s1.
What are the key properties of 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 598.60 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4R)-4-(4-bromo-2-fluorophenyl)-1-tert-butylpyrrolidine-3-carbonyl]-5,6-dimethyl-1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 142950883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).