1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C18H17FN4O2 — CID 140862945

IUPAC1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)nc2)c2cnn(C3CCCCC3)c2n1
InChIInChI=1S/C18H17FN4O2/c19-16-7-6-11(9-20-16)13-8-15(18(24)25)22-17-14(13)10-21-23(17)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,25)
InChIKeyCFUKDMUINXQXFP-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.84
Rot. Bonds3

About 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 140862945) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID140862945
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)nc2)c2cnn(C3CCCCC3)c2n1
InChIInChI=1S/C18H17FN4O2/c19-16-7-6-11(9-20-16)13-8-15(18(24)25)22-17-14(13)10-21-23(17)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,25)
InChIKeyCFUKDMUINXQXFP-UHFFFAOYSA-N
XLogP3.84
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742146
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743543
3-cyclobutyl-1-cyclohexyl-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742875
1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
6-[[5-fluoro-2-(6-fluoro-3-pyridinyl)phenyl]methyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136960529
N-cyclohexyl-1-cyclopentyl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 53370585
5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
CID 138707876
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
4-[6-[4-[(6-fluoro-3-pyridinyl)carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 68866728
3-cyclobutyl-1-cyclohexyl-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742757
4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742668

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 140862945) is 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(F)nc2)c2cnn(C3CCCCC3)c2n1.
What is the InChIKey of 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is CFUKDMUINXQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-16-7-6-11(9-20-16)13-8-15(18(24)25)22-17-14(13)10-21-23(17)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,24,25).
What are the key properties of 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 140862945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).