3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C14H15N3O — CID 155424536

IUPAC3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)CC(=O)N2
InChIInChI=1S/C14H15N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,18)
InChIKeyYANAKKBFFSJJBY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.63
Rot. Bonds1

About 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 155424536) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID155424536
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2c1C(C)CC(=O)N2
InChIInChI=1S/C14H15N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,18)
InChIKeyYANAKKBFFSJJBY-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 155424536) is 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2c1C(C)CC(=O)N2.
What is the InChIKey of 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is YANAKKBFFSJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-8-12(18)15-14-13(9)10(2)16-17(14)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,15,18).
What are the key properties of 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 155424536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).