5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C12H10N4O — CID 23462995

IUPAC5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCc1ncccc1-c1cnc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C12H10N4O/c1-7-9(3-2-4-13-7)8-5-10-11(14-6-8)15-16-12(10)17/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyDWZMNRVJZAETEO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.62
Rot. Bonds1

About 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 23462995) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID23462995
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCc1ncccc1-c1cnc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C12H10N4O/c1-7-9(3-2-4-13-7)8-5-10-11(14-6-8)15-16-12(10)17/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyDWZMNRVJZAETEO-UHFFFAOYSA-N
XLogP1.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
2-(2-aminopyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 24776678
2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo[4,3-c]quinolin-3-one
CID 13713270
1,4,6-trimethyl-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
CID 2728743
6-methyl-2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 879917
N'1-[3-(1H-pyrrol-1-yl)-2-pyridyl]-4-(tert-butyl)benzene-1-carbohydrazide
CID 2740716
4-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6461855
2,4-diphenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 6463281
6-(3-Methylpyridin-2-yl)-2-(4-(trifluoromethyl)phenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 11428656
5-(2-Amino-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 49788790
US10407409, Example R1
CID 59280161
4-(3-nitrophenyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 7339687

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 23462995) is 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is Cc1ncccc1-c1cnc2[nH][nH]c(=O)c2c1.
What is the InChIKey of 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is DWZMNRVJZAETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-9(3-2-4-13-7)8-5-10-11(14-6-8)15-16-12(10)17/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 226.24 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3-pyridinyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 23462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).