1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H13N3O — CID 135509313

IUPAC1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-7-13(18)16-14-12(10)8-15-17(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyNJQHKGVCXFASGF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.08
Rot. Bonds2

About 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135509313) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135509313
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-7-13(18)16-14-12(10)8-15-17(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyNJQHKGVCXFASGF-UHFFFAOYSA-N
XLogP2.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
7-Amino-4-benzyl-10-ethenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217846
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
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
4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
1-Benzyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135481940
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
2-Benzyl-4-methyl-2H-pyrazol-3-ylamine
CID 649067
3-Phenylpyrazolo(1,5-a)pyrimidine-5,7-diol
CID 135565929
N-[4-(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-3-yl)phenyl]acetamide
CID 136056608

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135509313) is 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NJQHKGVCXFASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-13(18)16-14-12(10)8-15-17(14)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 239.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135509313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).