3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C14H11N3O2 — CID 55148884

IUPAC3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)ccc12
InChIInChI=1S/C14H11N3O2/c1-9-11-7-8-12(14(18)19)15-13(11)17(16-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeySANXAJKISVKWSP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 55148884) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID55148884
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)ccc12
InChIInChI=1S/C14H11N3O2/c1-9-11-7-8-12(14(18)19)15-13(11)17(16-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeySANXAJKISVKWSP-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
4-(4,5-dimethylfuran-2-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085809
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
3-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)chromen-2-one
CID 56834421
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
6,10-dimethyl-12-phenyl-4-thia-2,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 639716
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036
3-methyl-1-phenyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 18802094

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 55148884) is 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(C(=O)O)ccc12.
What is the InChIKey of 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is SANXAJKISVKWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-11-7-8-12(14(18)19)15-13(11)17(16-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19).
What are the key properties of 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 55148884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).