N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C28H29ClN6O3 — CID 167075894

IUPACN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccc(Cl)cc34)[nH]c2n1
InChIInChI=1S/C28H29ClN6O3/c1-15(2)9-23(34(4)25(36)22-10-17-6-5-16(3)31-24(17)32-22)26(37)35-14-28(12-19(35)13-30)20-11-18(29)7-8-21(20)33-27(28)38/h5-8,10-11,15,19,23H,9,12,14H2,1-4H3,(H,31,32)(H,33,38)/t19-,23-,28-/m0/s1
InChIKeyKWVUATHEUCVAHK-AMAALNMCSA-N
MW533.03 g/mol
LogP4.03
Rot. Bonds5

About N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 167075894) has the molecular formula C28H29ClN6O3 and a molecular weight of 533.03 g/mol. Its IUPAC name is N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID167075894
Molecular FormulaC28H29ClN6O3
Molecular Weight533.03 g/mol
Exact Mass532.20
IUPAC NameN-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccc(Cl)cc34)[nH]c2n1
InChIInChI=1S/C28H29ClN6O3/c1-15(2)9-23(34(4)25(36)22-10-17-6-5-16(3)31-24(17)32-22)26(37)35-14-28(12-19(35)13-30)20-11-18(29)7-8-21(20)33-27(28)38/h5-8,10-11,15,19,23H,9,12,14H2,1-4H3,(H,31,32)(H,33,38)/t19-,23-,28-/m0/s1
InChIKeyKWVUATHEUCVAHK-AMAALNMCSA-N
XLogP4.03
TPSA122.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.03
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-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-methyl-1H-pyrazole-5-carboxamide
CID 163373416
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-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-5-phenyl-1H-indole-2-carboxamide
CID 165414277
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
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-[(2'S,3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methyl-1,7-naphthyridine-3-carboxamide
CID 163373650
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,1-dimethylbenzimidazole-2-carboxamide
CID 163373062
bis(N-[(2S)-1-[(2'S,3R)-2'-cyano-1-methyl-2-oxospiro[indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,4-dimethyl-1H-indole-2-carboxamide);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-dimethyl-1H-indole-2-carboxamide
CID 165072346
4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide
CID 165414283

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 167075894) is N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1ccc2cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)N3C[C@]4(C[C@H]3C#N)C(=O)Nc3ccc(Cl)cc34)[nH]c2n1.
What is the InChIKey of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWVUATHEUCVAHK-AMAALNMCSA-N. The full InChI is InChI=1S/C28H29ClN6O3/c1-15(2)9-23(34(4)25(36)22-10-17-6-5-16(3)31-24(17)32-22)26(37)35-14-28(12-19(35)13-30)20-11-18(29)7-8-21(20)33-27(28)38/h5-8,10-11,15,19,23H,9,12,14H2,1-4H3,(H,31,32)(H,33,38)/t19-,23-,28-/m0/s1.
What are the key properties of N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 533.03 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2'S,3R)-5-chloro-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167075894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).