N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide

C30H33N5O4 — CID 165414276

IUPACN-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]3(CC1C#N)C(=O)Nc1ccccc13)n2C
InChIInChI=1S/C30H33N5O4/c1-18(2)13-24(34(4)27(36)25-14-20-23(33(25)3)11-8-12-26(20)39-5)28(37)35-17-30(15-19(35)16-31)21-9-6-7-10-22(21)32-29(30)38/h6-12,14,18-19,24H,13,15,17H2,1-5H3,(H,32,38)/t19?,24-,30-/m0/s1
InChIKeyWRDLNFCNNJLZAJ-FOMMCYFOSA-N
MW527.63 g/mol
LogP3.69
Rot. Bonds6

About N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide

N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide (PubChem CID 165414276) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide
PubChem CID165414276
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
IUPAC NameN-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide
SMILESCOc1cccc2c1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]3(CC1C#N)C(=O)Nc1ccccc13)n2C
InChIInChI=1S/C30H33N5O4/c1-18(2)13-24(34(4)27(36)25-14-20-23(33(25)3)11-8-12-26(20)39-5)28(37)35-17-30(15-19(35)16-31)21-9-6-7-10-22(21)32-29(30)38/h6-12,14,18-19,24H,13,15,17H2,1-5H3,(H,32,38)/t19?,24-,30-/m0/s1
InChIKeyWRDLNFCNNJLZAJ-FOMMCYFOSA-N
XLogP3.69
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.63
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,1-dimethylbenzimidazole-2-carboxamide
CID 163373062
2-chloro-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-5-methoxy-N-methylbenzamide
CID 165414281
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-indazole-3-carboxamide
CID 165414297
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 163373416
(4-methoxy-1H-inden-2-yl)methyl N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 165414265
N'-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-(4-fluorophenyl)-N,N'-dimethyloxamide
CID 165112179
N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-4,6,7-trifluoro-N-methyl-1H-indole-2-carboxamide
CID 172874963
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-6-phenyl-1H-indole-2-carboxamide
CID 163373009
N-[1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N-methyl-1H-indole-2-carboxamide
CID 163372970
N-[(2S)-1-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-2-cyclobutyl-7-methoxy-N-methylindazole-5-carboxamide
CID 163372920
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
CID 165414269
N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide
CID 167077535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide (CID 165414276) is N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide is COc1cccc2c1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]3(CC1C#N)C(=O)Nc1ccccc13)n2C.
What is the InChIKey of N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide?
The InChIKey is WRDLNFCNNJLZAJ-FOMMCYFOSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-18(2)13-24(34(4)27(36)25-14-20-23(33(25)3)11-8-12-26(20)39-5)28(37)35-17-30(15-19(35)16-31)21-9-6-7-10-22(21)32-29(30)38/h6-12,14,18-19,24H,13,15,17H2,1-5H3,(H,32,38)/t19?,24-,30-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide?
N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 165414276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).