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

C17H12F2N6O2 — CID 134328098

IUPAC5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCn1cc(-c2nn(C(=O)O)c3cnc(-c4c(F)cc(N)cc4F)cc23)cn1
InChIInChI=1S/C17H12F2N6O2/c1-24-7-8(5-22-24)16-10-4-13(15-11(18)2-9(20)3-12(15)19)21-6-14(10)25(23-16)17(26)27/h2-7H,20H2,1H3,(H,26,27)
InChIKeyPRQDKVXRUYXMRC-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.89
Rot. Bonds2

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

5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (PubChem CID 134328098) has the molecular formula C17H12F2N6O2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
PubChem CID134328098
Molecular FormulaC17H12F2N6O2
Molecular Weight370.32 g/mol
Exact Mass370.10
IUPAC Name5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCn1cc(-c2nn(C(=O)O)c3cnc(-c4c(F)cc(N)cc4F)cc23)cn1
InChIInChI=1S/C17H12F2N6O2/c1-24-7-8(5-22-24)16-10-4-13(15-11(18)2-9(20)3-12(15)19)21-6-14(10)25(23-16)17(26)27/h2-7H,20H2,1H3,(H,26,27)
InChIKeyPRQDKVXRUYXMRC-UHFFFAOYSA-N
XLogP2.89
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.89
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-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The IUPAC name of 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (CID 134328098) is 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The canonical SMILES for 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is Cn1cc(-c2nn(C(=O)O)c3cnc(-c4c(F)cc(N)cc4F)cc23)cn1.
What is the InChIKey of 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The InChIKey is PRQDKVXRUYXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6O2/c1-24-7-8(5-22-24)16-10-4-13(15-11(18)2-9(20)3-12(15)19)21-6-14(10)25(23-16)17(26)27/h2-7H,20H2,1H3,(H,26,27).
What are the key properties of 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid has a molecular weight of 370.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 134328098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).