4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C28H35FN4O2 — CID 126743725

IUPAC4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC(CC4CCCCC4)CC3)c12
InChIInChI=1S/C28H35FN4O2/c1-18(2)26-25-24(32-14-12-20(13-15-32)16-19-6-4-3-5-7-19)17-23(28(34)35)30-27(25)33(31-26)22-10-8-21(29)9-11-22/h8-11,17-20H,3-7,12-16H2,1-2H3,(H,34,35)
InChIKeyZKQMHQWDGMHFGS-UHFFFAOYSA-N
MW478.61 g/mol
LogP6.57
Rot. Bonds6

About 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743725) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743725
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC Name4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC(CC4CCCCC4)CC3)c12
InChIInChI=1S/C28H35FN4O2/c1-18(2)26-25-24(32-14-12-20(13-15-32)16-19-6-4-3-5-7-19)17-23(28(34)35)30-27(25)33(31-26)22-10-8-21(29)9-11-22/h8-11,17-20H,3-7,12-16H2,1-2H3,(H,34,35)
InChIKeyZKQMHQWDGMHFGS-UHFFFAOYSA-N
XLogP6.57
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743419
1-(4-fluorophenyl)-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741447
1-(4-fluorophenyl)-4-(oxan-4-ylmethoxy)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742566
4-[4-(2-ethoxyethyl)-4-fluoropiperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742699
methyl 1-(4-fluorophenyl)-4-(1-oxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742050
1-(3-methylphenyl)-4-(4-methylsulfonylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741409
N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741598
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742473
2-[1-(4-fluorophenyl)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl]-N-methylsulfonylacetamide
CID 164606437
1-[3-(dimethylamino)phenyl]-4-(4-methylpiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;formonitrile
CID 161108893
4-[(1-acetylpiperidin-4-yl)methoxy]-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126753589
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[4-(oxetan-3-yl)piperazin-1-yl]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742859

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743725) is 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C(=O)O)cc(N3CCC(CC4CCCCC4)CC3)c12.
What is the InChIKey of 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ZKQMHQWDGMHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-18(2)26-25-24(32-14-12-20(13-15-32)16-19-6-4-3-5-7-19)17-23(28(34)35)30-27(25)33(31-26)22-10-8-21(29)9-11-22/h8-11,17-20H,3-7,12-16H2,1-2H3,(H,34,35).
What are the key properties of 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 478.61 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethyl)piperidin-1-yl]-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).