5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid

C18H15FN6O2 — CID 134327847

IUPAC5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCc1cc(N)cc(F)c1-c1cc2c(-c3cnn(C)c3)nn(C(=O)O)c2cn1
InChIInChI=1S/C18H15FN6O2/c1-9-3-11(20)4-13(19)16(9)14-5-12-15(7-21-14)25(18(26)27)23-17(12)10-6-22-24(2)8-10/h3-8H,20H2,1-2H3,(H,26,27)
InChIKeyQBBMMLACJVAMJW-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.05
Rot. Bonds2

About 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid

5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (PubChem CID 134327847) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
PubChem CID134327847
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCc1cc(N)cc(F)c1-c1cc2c(-c3cnn(C)c3)nn(C(=O)O)c2cn1
InChIInChI=1S/C18H15FN6O2/c1-9-3-11(20)4-13(19)16(9)14-5-12-15(7-21-14)25(18(26)27)23-17(12)10-6-22-24(2)8-10/h3-8H,20H2,1-2H3,(H,26,27)
InChIKeyQBBMMLACJVAMJW-UHFFFAOYSA-N
XLogP3.05
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The IUPAC name of 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (CID 134327847) is 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The canonical SMILES for 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is Cc1cc(N)cc(F)c1-c1cc2c(-c3cnn(C)c3)nn(C(=O)O)c2cn1.
What is the InChIKey of 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The InChIKey is QBBMMLACJVAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-9-3-11(20)4-13(19)16(9)14-5-12-15(7-21-14)25(18(26)27)23-17(12)10-6-22-24(2)8-10/h3-8H,20H2,1-2H3,(H,26,27).
What are the key properties of 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid has a molecular weight of 366.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluoro-6-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 134327847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).