3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C16H17N3O — CID 135413727

IUPAC3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C(C)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-10-9-14(20)17-16-15(10)11(2)18-19(16)12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,17,20)
InChIKeyAINZHJNRPCVQAX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.95
Rot. Bonds2

About 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one

3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135413727) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135413727
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C(C)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-10-9-14(20)17-16-15(10)11(2)18-19(16)12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,17,20)
InChIKeyAINZHJNRPCVQAX-UHFFFAOYSA-N
XLogP2.95
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
Difenamizole
CID 65695
5-Methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875693
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875697
3-Methyl-5-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875704

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135413727) is 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(C)nn2C(C)c1ccccc1.
What is the InChIKey of 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AINZHJNRPCVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-9-14(20)17-16-15(10)11(2)18-19(16)12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H,17,20).
What are the key properties of 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 267.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135413727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).