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

C12H15N5O — CID 169421577

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1nn(C)cc1C1CC(=O)Nc2nn(C)cc21
InChIInChI=1S/C12H15N5O/c1-7-9(5-16(2)14-7)8-4-11(18)13-12-10(8)6-17(3)15-12/h5-6,8H,4H2,1-3H3,(H,13,15,18)
InChIKeyPRYXRNMMGRKTFG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.94
Rot. Bonds1

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

4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 169421577) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID169421577
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1nn(C)cc1C1CC(=O)Nc2nn(C)cc21
InChIInChI=1S/C12H15N5O/c1-7-9(5-16(2)14-7)8-4-11(18)13-12-10(8)6-17(3)15-12/h5-6,8H,4H2,1-3H3,(H,13,15,18)
InChIKeyPRYXRNMMGRKTFG-UHFFFAOYSA-N
XLogP0.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632575
2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171389273
2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910545
(4R)-1-cyclopentyl-4-(1,3-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389610
(4S)-1-cyclopentyl-4-(1,3-dimethylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389609
2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169422316
2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one
CID 83094336
4-(1,3-dimethylpyrazol-4-yl)oxane-2,6-dione
CID 99987999
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 178191748

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 169421577) is 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is Cc1nn(C)cc1C1CC(=O)Nc2nn(C)cc21.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is PRYXRNMMGRKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-9(5-16(2)14-7)8-4-11(18)13-12-10(8)6-17(3)15-12/h5-6,8H,4H2,1-3H3,(H,13,15,18).
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 245.29 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169421577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).