formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

C21H22N4O7 — CID 171322404

IUPACformic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3ccc[nH]c3=O)Cc3[nH]cnc32)c1.O=CO.O=CO
InChIInChI=1S/C19H18N4O3.2CH2O2/c1-26-13-5-2-4-12(8-13)15-9-23(10-16-17(15)22-11-21-16)19(25)14-6-3-7-20-18(14)24;2*2-1-3/h2-8,11,15H,9-10H2,1H3,(H,20,24)(H,21,22);2*1H,(H,2,3)
InChIKeyXLSCHTUCYMYKMI-UHFFFAOYSA-N
MW442.43 g/mol
LogP1.30
Rot. Bonds3

About formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one

formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (PubChem CID 171322404) has the molecular formula C21H22N4O7 and a molecular weight of 442.43 g/mol. Its IUPAC name is formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameformic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
PubChem CID171322404
Molecular FormulaC21H22N4O7
Molecular Weight442.43 g/mol
Exact Mass442.15
IUPAC Nameformic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
SMILESCOc1cccc(C2CN(C(=O)c3ccc[nH]c3=O)Cc3[nH]cnc32)c1.O=CO.O=CO
InChIInChI=1S/C19H18N4O3.2CH2O2/c1-26-13-5-2-4-12(8-13)15-9-23(10-16-17(15)22-11-21-16)19(25)14-6-3-7-20-18(14)24;2*2-1-3/h2-8,11,15H,9-10H2,1H3,(H,20,24)(H,21,22);2*1H,(H,2,3)
InChIKeyXLSCHTUCYMYKMI-UHFFFAOYSA-N
XLogP1.30
TPSA165.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-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

1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598227
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 171322513
[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165417713
[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 164694408
2-(3,5-dimethylpyrazol-1-yl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 165419182
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465

Frequently Asked Questions

What is the IUPAC name of formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The IUPAC name of formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one (CID 171322404) is formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is COc1cccc(C2CN(C(=O)c3ccc[nH]c3=O)Cc3[nH]cnc32)c1.O=CO.O=CO.
What is the InChIKey of formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
The InChIKey is XLSCHTUCYMYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3.2CH2O2/c1-26-13-5-2-4-12(8-13)15-9-23(10-16-17(15)22-11-21-16)19(25)14-6-3-7-20-18(14)24;2*2-1-3/h2-8,11,15H,9-10H2,1H3,(H,20,24)(H,21,22);2*1H,(H,2,3).
What are the key properties of formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one?
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one has a molecular weight of 442.43 g/mol, XLogP of 1.30, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 171322404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).