1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid

C19H13N3O2 — CID 16778556

IUPAC1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(24)14-11-16-17(13-7-3-1-4-8-13)21-22(18(16)20-12-14)15-9-5-2-6-10-15/h1-12H,(H,23,24)
InChIKeyLRJUUQXQPDEIPB-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.79
Rot. Bonds3

About 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid

1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 16778556) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID16778556
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H13N3O2/c23-19(24)14-11-16-17(13-7-3-1-4-8-13)21-22(18(16)20-12-14)15-9-5-2-6-10-15/h1-12H,(H,23,24)
InChIKeyLRJUUQXQPDEIPB-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778863
ethyl 3-(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 134853494
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
1-phenylpyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 12643401
[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
CID 2451940
(2-hydroxy-5-methylphenyl)-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 901814
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009
1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline
CID 15853936

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 16778556) is 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(c1)c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is LRJUUQXQPDEIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-19(24)14-11-16-17(13-7-3-1-4-8-13)21-22(18(16)20-12-14)15-9-5-2-6-10-15/h1-12H,(H,23,24).
What are the key properties of 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid?
1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16778556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).