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

C15H15N3O — CID 135422706

IUPAC3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-9-10(2)15(19)16-14-13(9)11(3)17-18(14)12-7-5-4-6-8-12/h4-8H,1-3H3,(H,16,19)
InChIKeyOFZFFQWLPRCQOI-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.64
Rot. Bonds1

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

3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135422706) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135422706
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-9-10(2)15(19)16-14-13(9)11(3)17-18(14)12-7-5-4-6-8-12/h4-8H,1-3H3,(H,16,19)
InChIKeyOFZFFQWLPRCQOI-UHFFFAOYSA-N
XLogP2.64
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135422706) is 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is OFZFFQWLPRCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-10(2)15(19)16-14-13(9)11(3)17-18(14)12-7-5-4-6-8-12/h4-8H,1-3H3,(H,16,19).
What are the key properties of 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 253.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135422706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).