4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid

C28H33N5O3 — CID 151008563

IUPAC4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(C4(C#N)CCNCC4)cc3)c12
InChIInChI=1S/C28H33N5O3/c1-18(2)36-26-24-22(19-8-10-20(11-9-19)28(17-29)12-14-30-15-13-28)16-23(27(34)35)31-25(24)33(32-26)21-6-4-3-5-7-21/h8-11,16,18,21,30H,3-7,12-15H2,1-2H3,(H,34,35)
InChIKeyLVPKFYJIZHPWFG-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.23
Rot. Bonds6

About 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 151008563) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID151008563
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(C4(C#N)CCNCC4)cc3)c12
InChIInChI=1S/C28H33N5O3/c1-18(2)36-26-24-22(19-8-10-20(11-9-19)28(17-29)12-14-30-15-13-28)16-23(27(34)35)31-25(24)33(32-26)21-6-4-3-5-7-21/h8-11,16,18,21,30H,3-7,12-15H2,1-2H3,(H,34,35)
InChIKeyLVPKFYJIZHPWFG-UHFFFAOYSA-N
XLogP5.23
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

ethyl 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742176
1-cyclohexyl-3-propan-2-yloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742627
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338
1-cyclohexyl-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741909
4-[4-(4-cyano-1-methylpiperidin-4-yl)phenyl]-1-cyclohexyl-5-ethyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126752440
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741353
4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742668
4-(1-cyclohexyl-6-ethoxycarbonyl-3-propan-2-yloxypyrazolo[5,4-b]pyridin-4-yl)benzoic acid;ethyl 1-cyclohexyl-4-[4-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 159086929
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743543
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
3-cyclobutyl-1-cyclohexyl-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742875

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 151008563) is 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)Oc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(C4(C#N)CCNCC4)cc3)c12.
What is the InChIKey of 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is LVPKFYJIZHPWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-18(2)36-26-24-22(19-8-10-20(11-9-19)28(17-29)12-14-30-15-13-28)16-23(27(34)35)31-25(24)33(32-26)21-6-4-3-5-7-21/h8-11,16,18,21,30H,3-7,12-15H2,1-2H3,(H,34,35).
What are the key properties of 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 487.60 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 151008563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).