4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C20H18N4O2 — CID 146323059

IUPAC4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cn(-c2ccc(N)cc2-c2cn(C)c(=O)c3[nH]ccc23)ccc1=O
InChIInChI=1S/C20H18N4O2/c1-12-10-24(8-6-18(12)25)17-4-3-13(21)9-15(17)16-11-23(2)20(26)19-14(16)5-7-22-19/h3-11,22H,21H2,1-2H3
InChIKeyLVGULRSJAIOPFZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.58
Rot. Bonds2

About 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 146323059) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID146323059
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cn(-c2ccc(N)cc2-c2cn(C)c(=O)c3[nH]ccc23)ccc1=O
InChIInChI=1S/C20H18N4O2/c1-12-10-24(8-6-18(12)25)17-4-3-13(21)9-15(17)16-11-23(2)20(26)19-14(16)5-7-22-19/h3-11,22H,21H2,1-2H3
InChIKeyLVGULRSJAIOPFZ-UHFFFAOYSA-N
XLogP2.58
TPSA85.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334596
4-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146326626
4-[5-(2-hydroxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234596
4-[3-(2-methoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234476
4-[5-[4-fluoro-2,6-bis(trideuteriomethyl)phenoxy]-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 175723544
4-(5-ethylsulfonyl-2-morpholin-4-ylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146326625
tert-butyl 4-[2-[4-[4-amino-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenyl]ethyl]piperidine-1-carboxylate;ethane;methane;methanol
CID 171082006
4-[5-(2,6-dimethoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 163274025
6-methyl-4-[3-methyl-6-(methylsulfonimidoyl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172602205
tert-butyl N-[2-[3-[4-amino-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenoxy]ethyl]-N-methylcarbamate
CID 171083028
4-[2-(2-azaspiro[3.3]heptan-2-yl)-5-methylsulfonylphenyl]-6-(trideuteriomethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153396305
7-amino-2,4-dimethylisoquinolin-1-one
CID 115063555

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 146323059) is 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cc1cn(-c2ccc(N)cc2-c2cn(C)c(=O)c3[nH]ccc23)ccc1=O.
What is the InChIKey of 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is LVGULRSJAIOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-10-24(8-6-18(12)25)17-4-3-13(21)9-15(17)16-11-23(2)20(26)19-14(16)5-7-22-19/h3-11,22H,21H2,1-2H3.
What are the key properties of 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 346.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(3-methyl-4-oxo-1-pyridinyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 146323059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).