4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C29H33N5O2 — CID 126742668

IUPAC4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESN#CC1CCN(c2ccc(-c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCCCC3)cc2)CC1
InChIInChI=1S/C29H33N5O2/c30-18-19-13-15-33(16-14-19)22-11-9-20(10-12-22)24-17-25(29(35)36)31-28-26(24)27(21-5-4-6-21)32-34(28)23-7-2-1-3-8-23/h9-12,17,19,21,23H,1-8,13-16H2,(H,35,36)
InChIKeyHOBBPTYZFAJHAV-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.31
Rot. Bonds5

About 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742668) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742668
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESN#CC1CCN(c2ccc(-c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCCCC3)cc2)CC1
InChIInChI=1S/C29H33N5O2/c30-18-19-13-15-33(16-14-19)22-11-9-20(10-12-22)24-17-25(29(35)36)31-28-26(24)27(21-5-4-6-21)32-34(28)23-7-2-1-3-8-23/h9-12,17,19,21,23H,1-8,13-16H2,(H,35,36)
InChIKeyHOBBPTYZFAJHAV-UHFFFAOYSA-N
XLogP6.31
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
6-(4-Aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600253
6-[4-(Dimethylamino)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600254
6-(4-Cyanophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600399
6-(3-Phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600677
6-(4-Phenylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600805
2-[5-Cyano-6-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]benzoic acid
CID 156207564
1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16227654
6-phenyl-1-(pyridin-3-ylmethyl)-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acid
CID 16227656
4-[7-(Dipropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 44347078

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742668) is 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid is N#CC1CCN(c2ccc(-c3cc(C(=O)O)nc4c3c(C3CCC3)nn4C3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is HOBBPTYZFAJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c30-18-19-13-15-33(16-14-19)22-11-9-20(10-12-22)24-17-25(29(35)36)31-28-26(24)27(21-5-4-6-21)32-34(28)23-7-2-1-3-8-23/h9-12,17,19,21,23H,1-8,13-16H2,(H,35,36).
What are the key properties of 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 483.62 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).