2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide

C16H15FN4O2 — CID 46395146

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12
InChIInChI=1S/C16H15FN4O2/c1-10-13-6-7-21(16(23)15(13)20(2)19-10)9-14(22)18-12-5-3-4-11(17)8-12/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyQMRWFPFVWUVNMQ-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.82
Rot. Bonds3

About 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 46395146) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
PubChem CID46395146
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12
InChIInChI=1S/C16H15FN4O2/c1-10-13-6-7-21(16(23)15(13)20(2)19-10)9-14(22)18-12-5-3-4-11(17)8-12/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyQMRWFPFVWUVNMQ-UHFFFAOYSA-N
XLogP1.82
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide (CID 46395146) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide is Cc1nn(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)ccc12.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is QMRWFPFVWUVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-10-13-6-7-21(16(23)15(13)20(2)19-10)9-14(22)18-12-5-3-4-11(17)8-12/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 46395146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).