2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

C17H14N6O3 — CID 86843479

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1[nH]nc2ncc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc12
InChIInChI=1S/C17H14N6O3/c1-9-12-6-10(7-18-15(12)22-21-9)19-14(24)8-23-16(25)11-4-2-3-5-13(11)20-17(23)26/h2-7H,8H2,1H3,(H,19,24)(H,20,26)(H,18,21,22)
InChIKeyOCAIABLFOWIQGS-UHFFFAOYSA-N
MW350.34 g/mol
LogP0.91
Rot. Bonds3

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 86843479) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID86843479
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCc1[nH]nc2ncc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc12
InChIInChI=1S/C17H14N6O3/c1-9-12-6-10(7-18-15(12)22-21-9)19-14(24)8-23-16(25)11-4-2-3-5-13(11)20-17(23)26/h2-7H,8H2,1H3,(H,19,24)(H,20,26)(H,18,21,22)
InChIKeyOCAIABLFOWIQGS-UHFFFAOYSA-N
XLogP0.91
TPSA125.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
CID 172640271
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 86843479) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is Cc1[nH]nc2ncc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc12.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is OCAIABLFOWIQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-9-12-6-10(7-18-15(12)22-21-9)19-14(24)8-23-16(25)11-4-2-3-5-13(11)20-17(23)26/h2-7H,8H2,1H3,(H,19,24)(H,20,26)(H,18,21,22).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 350.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 86843479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).