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

C14H11FN4O3 — CID 134328250

IUPAC3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1cc2c(N)nn(C(=O)O)c2cn1
InChIInChI=1S/C14H11FN4O3/c1-22-11-4-2-3-8(15)12(11)9-5-7-10(6-17-9)19(14(20)21)18-13(7)16/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyBXXLFUBVHXDFGV-UHFFFAOYSA-N
MW302.27 g/mol
LogP2.35
Rot. Bonds2

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

3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (PubChem CID 134328250) has the molecular formula C14H11FN4O3 and a molecular weight of 302.27 g/mol. Its IUPAC name is 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
PubChem CID134328250
Molecular FormulaC14H11FN4O3
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Name3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
SMILESCOc1cccc(F)c1-c1cc2c(N)nn(C(=O)O)c2cn1
InChIInChI=1S/C14H11FN4O3/c1-22-11-4-2-3-8(15)12(11)9-5-7-10(6-17-9)19(14(20)21)18-13(7)16/h2-6H,1H3,(H2,16,18)(H,20,21)
InChIKeyBXXLFUBVHXDFGV-UHFFFAOYSA-N
XLogP2.35
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromoanilino)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134329138
5-(4-amino-2,6-difluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134328098
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrazole-5-carboxamide
CID 167146952
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781794
7-fluoro-3-methoxyindazole-1-carboxylic acid
CID 150593885
4-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 168988816
2-[2-(2-fluoro-6-methoxyphenyl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169414091
[3-amino-6-(2,2-difluorocyclopropyl)pyrazolo[5,4-b]pyridin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 164597743
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The IUPAC name of 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid (CID 134328250) is 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The canonical SMILES for 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is COc1cccc(F)c1-c1cc2c(N)nn(C(=O)O)c2cn1.
What is the InChIKey of 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
The InChIKey is BXXLFUBVHXDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3/c1-22-11-4-2-3-8(15)12(11)9-5-7-10(6-17-9)19(14(20)21)18-13(7)16/h2-6H,1H3,(H2,16,18)(H,20,21).
What are the key properties of 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid?
3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid has a molecular weight of 302.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid is sourced from PubChem (CID 134328250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).