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

C18H17N3O2 — CID 16779564

IUPAC3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-10-15-16(12-6-4-5-7-12)20-21(17(15)19-11-13)14-8-2-1-3-9-14/h1-3,8-12H,4-7H2,(H,22,23)
InChIKeyDBRBOIAWFNXCIG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.78
Rot. Bonds3

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

3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 16779564) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID16779564
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-18(23)13-10-15-16(12-6-4-5-7-12)20-21(17(15)19-11-13)14-8-2-1-3-9-14/h1-3,8-12H,4-7H2,(H,22,23)
InChIKeyDBRBOIAWFNXCIG-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778556
3-tert-butyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 16778863
3-cyclobutyl-4-(oxolan-2-ylmethylamino)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 129033643
3-cyclobutyl-4-(2-cyclohexylethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743204
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
3-cyclobutyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743859
3-cyclobutyl-4-(4-formylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743494
3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25248176
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
(3,6-dicyclopropyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 19588470
3-cyclobutyl-4-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743375

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 16779564) is 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1.
What is the InChIKey of 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is DBRBOIAWFNXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(23)13-10-15-16(12-6-4-5-7-12)20-21(17(15)19-11-13)14-8-2-1-3-9-14/h1-3,8-12H,4-7H2,(H,22,23).
What are the key properties of 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 16779564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).