3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one

C13H13N5O2 — CID 135780270

IUPAC3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c3c(C)cc(=O)[nH]c32)n1
InChIInChI=1S/C13H13N5O2/c1-6-4-9(19)15-12-11(6)8(3)17-18(12)13-14-7(2)5-10(20)16-13/h4-5H,1-3H3,(H,15,19)(H,14,16,20)
InChIKeyNDSDBHKKGRMNEM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.72
Rot. Bonds1

About 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one

3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135780270) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135780270
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c3c(C)cc(=O)[nH]c32)n1
InChIInChI=1S/C13H13N5O2/c1-6-4-9(19)15-12-11(6)8(3)17-18(12)13-14-7(2)5-10(20)16-13/h4-5H,1-3H3,(H,15,19)(H,14,16,20)
InChIKeyNDSDBHKKGRMNEM-UHFFFAOYSA-N
XLogP0.72
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-olate
CID 136775446
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
5-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbaldehyde
CID 145286916
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817813
2-[3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoylamino]benzamide
CID 135885950
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135536917
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135780270) is 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c(-n2nc(C)c3c(C)cc(=O)[nH]c32)n1.
What is the InChIKey of 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NDSDBHKKGRMNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-6-4-9(19)15-12-11(6)8(3)17-18(12)13-14-7(2)5-10(20)16-13/h4-5H,1-3H3,(H,15,19)(H,14,16,20).
What are the key properties of 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 271.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135780270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).