1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C26H32FN5O2 — CID 126741621

IUPAC1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N4CCCC(F)C4)nc3)c12
InChIInChI=1S/C26H32FN5O2/c1-16(2)24-23-20(17-10-11-22(28-14-17)31-12-6-7-18(27)15-31)13-21(26(33)34)29-25(23)32(30-24)19-8-4-3-5-9-19/h10-11,13-14,16,18-19H,3-9,12,15H2,1-2H3,(H,33,34)
InChIKeyBPUWDULXSZCDKN-UHFFFAOYSA-N
MW465.57 g/mol
LogP5.76
Rot. Bonds5

About 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741621) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126741621
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N4CCCC(F)C4)nc3)c12
InChIInChI=1S/C26H32FN5O2/c1-16(2)24-23-20(17-10-11-22(28-14-17)31-12-6-7-18(27)15-31)13-21(26(33)34)29-25(23)32(30-24)19-8-4-3-5-9-19/h10-11,13-14,16,18-19H,3-9,12,15H2,1-2H3,(H,33,34)
InChIKeyBPUWDULXSZCDKN-UHFFFAOYSA-N
XLogP5.76
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2525992
6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
4-[8-Morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728190
4-[8-Morpholin-4-yl-2-(3-quinolin-2-ylcyclobutyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728416
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
3-butyl-1-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971711
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 20664141
4-[[8-(2-Propan-2-yl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199136
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 91844700
4-[8-Morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728248
1,6-diisopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2466731

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741621) is 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N4CCCC(F)C4)nc3)c12.
What is the InChIKey of 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is BPUWDULXSZCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-16(2)24-23-20(17-10-11-22(28-14-17)31-12-6-7-18(27)15-31)13-21(26(33)34)29-25(23)32(30-24)19-8-4-3-5-9-19/h10-11,13-14,16,18-19H,3-9,12,15H2,1-2H3,(H,33,34).
What are the key properties of 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 465.57 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).