2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one

C22H20N6O2 — CID 127047393

IUPAC2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one
SMILESCC1(C)NC(=O)c2ccc(-n3c(=O)[nH]c4ncccc43)cc2N1Cc1cccnc1
InChIInChI=1S/C22H20N6O2/c1-22(2)26-20(29)16-8-7-15(28-17-6-4-10-24-19(17)25-21(28)30)11-18(16)27(22)13-14-5-3-9-23-12-14/h3-12H,13H2,1-2H3,(H,26,29)(H,24,25,30)
InChIKeyXEPXNHOMZLBETC-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.59
Rot. Bonds3

About 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one

2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one (PubChem CID 127047393) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one
PubChem CID127047393
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one
SMILESCC1(C)NC(=O)c2ccc(-n3c(=O)[nH]c4ncccc43)cc2N1Cc1cccnc1
InChIInChI=1S/C22H20N6O2/c1-22(2)26-20(29)16-8-7-15(28-17-6-4-10-24-19(17)25-21(28)30)11-18(16)27(22)13-14-5-3-9-23-12-14/h3-12H,13H2,1-2H3,(H,26,29)(H,24,25,30)
InChIKeyXEPXNHOMZLBETC-UHFFFAOYSA-N
XLogP2.59
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-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-benzyl-7-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,2-dimethyl-3H-quinazolin-4-one
CID 118409648
1-benzyl-2,2-dimethyl-7-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-3H-quinazolin-4-one
CID 170745757
1-benzyl-7-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,2-dimethyl-3H-quinazolin-4-one
CID 170745802
6-chloro-1-(2-pyridin-3-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 25093973
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878
1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800
3-hydroxy-3-methyl-2-(pyridin-3-ylmethyl)isoindol-1-one
CID 572155
1-methyl-3H-imidazo[4,5-b]pyridin-2-one;dihydrochloride
CID 141325245
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 90489777
6-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333253

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one (CID 127047393) is 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one is CC1(C)NC(=O)c2ccc(-n3c(=O)[nH]c4ncccc43)cc2N1Cc1cccnc1.
What is the InChIKey of 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is XEPXNHOMZLBETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-22(2)26-20(29)16-8-7-15(28-17-6-4-10-24-19(17)25-21(28)30)11-18(16)27(22)13-14-5-3-9-23-12-14/h3-12H,13H2,1-2H3,(H,26,29)(H,24,25,30).
What are the key properties of 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one?
2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 400.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-(pyridin-3-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 127047393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).