4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

C14H13FN4O — CID 69042501

IUPAC4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(N)c2cnn(F)c2n(C)c1=O
InChIInChI=1S/C14H13FN4O/c1-8-5-3-4-6-9(8)11-12(16)10-7-17-19(15)13(10)18(2)14(11)20/h3-7H,16H2,1-2H3
InChIKeyYORKQRHNAUCTJG-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.03
Rot. Bonds1

About 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 69042501) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID69042501
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccccc1-c1c(N)c2cnn(F)c2n(C)c1=O
InChIInChI=1S/C14H13FN4O/c1-8-5-3-4-6-9(8)11-12(16)10-7-17-19(15)13(10)18(2)14(11)20/h3-7H,16H2,1-2H3
InChIKeyYORKQRHNAUCTJG-UHFFFAOYSA-N
XLogP2.03
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (CID 69042501) is 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is Cc1ccccc1-c1c(N)c2cnn(F)c2n(C)c1=O.
What is the InChIKey of 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is YORKQRHNAUCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-8-5-3-4-6-9(8)11-12(16)10-7-17-19(15)13(10)18(2)14(11)20/h3-7H,16H2,1-2H3.
What are the key properties of 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 272.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-fluoro-7-methyl-5-(2-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 69042501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).