5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one

C21H21N5O — CID 123378917

IUPAC5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc3cnc(N)cc3n2C(C)c2ccccc2)cn(C)c1=O
InChIInChI=1S/C21H21N5O/c1-13-9-16(12-25(3)21(13)27)20-24-17-11-23-19(22)10-18(17)26(20)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H2,22,23)
InChIKeyIVBCZMZXWJIVBB-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.30
Rot. Bonds3

About 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one

5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 123378917) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID123378917
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc3cnc(N)cc3n2C(C)c2ccccc2)cn(C)c1=O
InChIInChI=1S/C21H21N5O/c1-13-9-16(12-25(3)21(13)27)20-24-17-11-23-19(22)10-18(17)26(20)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H2,22,23)
InChIKeyIVBCZMZXWJIVBB-UHFFFAOYSA-N
XLogP3.30
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-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

2-(1,5-dimethyl-6-oxo-3-pyridinyl)-6,7,7-trimethyl-3-[(1S)-1-phenylethyl]pyrrolo[3,4-f]benzimidazol-5-one
CID 118509532
5-[1-[(2S)-1-hydroxypropan-2-yl]benzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 142740601
2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-[(1S)-1-[3-[[5-[1,3-dimethyl-7-[(1S)-1-phenylethyl]imidazo[4,5-f]indazol-6-yl]-3-methyl-2-oxo-1-pyridinyl]methyl]phenyl]ethyl]-6,7,7-trimethylpyrrolo[3,4-f]benzimidazol-5-one
CID 144956290
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
CID 122623627
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide
CID 145172122
5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 142740590
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
2-(4-methylphenyl)-1-(1-phenylethyl)benzimidazole
CID 18878803
2-(4,6-dimethyl-5-oxopyrazin-2-yl)-7,7-dimethyl-3-[(1S)-1-phenylethyl]-5-propan-2-ylpyrrolo[3,2-f]benzimidazol-6-one
CID 118509527
5-[4-[(1R)-1-aminoethyl]phenyl]-1,3-dimethylpyridin-2-one
CID 134258642
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one (CID 123378917) is 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2nc3cnc(N)cc3n2C(C)c2ccccc2)cn(C)c1=O.
What is the InChIKey of 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is IVBCZMZXWJIVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-9-16(12-25(3)21(13)27)20-24-17-11-23-19(22)10-18(17)26(20)14(2)15-7-5-4-6-8-15/h4-12,14H,1-3H3,(H2,22,23).
What are the key properties of 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one?
5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-1-(1-phenylethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 123378917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).