1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide

C22H23N3O2 — CID 155351890

IUPAC1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)NC34CC(c5ccccc5)(C3)C4)cn(C)c12
InChIInChI=1S/C22H23N3O2/c1-14-9-25(3)20(27)17-16(10-24(2)18(14)17)19(26)23-22-11-21(12-22,13-22)15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyMQFIGODCKIHFNE-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.79
Rot. Bonds3

About 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide

1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155351890) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155351890
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)NC34CC(c5ccccc5)(C3)C4)cn(C)c12
InChIInChI=1S/C22H23N3O2/c1-14-9-25(3)20(27)17-16(10-24(2)18(14)17)19(26)23-22-11-21(12-22,13-22)15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyMQFIGODCKIHFNE-UHFFFAOYSA-N
XLogP2.79
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 14114385
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(tert-butyl)propanamide
CID 3665396
N-Hydroxy-3-[1-methyl-4-(1-phenyl-cyclopropanecarbonyl)-1H-pyrrol-2-yl]-acrylamide
CID 11324348
N2-tert-butyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide
CID 54761632
3-Piperidinecarboxamide, N-(1,1-dimethylethyl)-5-phenyl-
CID 3040022
3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(1,1-dimethylpropyl)propanamide
CID 3543770
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 162647350
N-[(4,6-Dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 141741918
1-butyl-N-(2-phenylpropan-2-yl)-1h-indole-3-carboxamide
CID 86273677
Cumyl-PICA
CID 86273678
Cumyl-CBMICA
CID 155884426
1-Ethyl-2-phenyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 57659296

Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 155351890) is 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cn(C)c(=O)c2c(C(=O)NC34CC(c5ccccc5)(C3)C4)cn(C)c12.
What is the InChIKey of 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is MQFIGODCKIHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-9-25(3)20(27)17-16(10-24(2)18(14)17)19(26)23-22-11-21(12-22,13-22)15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3,(H,23,26).
What are the key properties of 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-4-oxo-N-(3-phenyl-1-bicyclo[1.1.1]pentanyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).