4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid

C25H25FN4O4 — CID 46890276

IUPAC4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCC(c2cccc(F)c2)C1
InChIInChI=1S/C25H25FN4O4/c1-15(11-19-9-10-30(29-19)23-8-6-20(31)14-27-23)24(32)28-22-13-17(5-7-21(22)25(33)34)16-3-2-4-18(26)12-16/h2-4,6,8-10,12,14-15,17,31H,5,7,11,13H2,1H3,(H,28,32)(H,33,34)
InChIKeyXZFMVOXGVHVWCF-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.71
Rot. Bonds7

About 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid

4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (PubChem CID 46890276) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
PubChem CID46890276
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCC(c2cccc(F)c2)C1
InChIInChI=1S/C25H25FN4O4/c1-15(11-19-9-10-30(29-19)23-8-6-20(31)14-27-23)24(32)28-22-13-17(5-7-21(22)25(33)34)16-3-2-4-18(26)12-16/h2-4,6,8-10,12,14-15,17,31H,5,7,11,13H2,1H3,(H,28,32)(H,33,34)
InChIKeyXZFMVOXGVHVWCF-UHFFFAOYSA-N
XLogP3.71
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-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

(2R)-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 15958171
2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]propanamido}benzoic acid
CID 24741310
2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)propanamido)cyclohex-1-enecarboxylicacid
CID 15986936
(2S)-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 45102785
5-(3-Fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanamido)cyclohex-1-enecarboxylic acid
CID 135966934
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]benzoic acid
CID 46890197
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]benzoic acid
CID 46890198
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]benzoic acid
CID 46890199
2-[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890237
2-[[3-[1-(5-Hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890238
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890239
2-[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890240

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (CID 46890276) is 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is CC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CCC(c2cccc(F)c2)C1.
What is the InChIKey of 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The InChIKey is XZFMVOXGVHVWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c1-15(11-19-9-10-30(29-19)23-8-6-20(31)14-27-23)24(32)28-22-13-17(5-7-21(22)25(33)34)16-3-2-4-18(26)12-16/h2-4,6,8-10,12,14-15,17,31H,5,7,11,13H2,1H3,(H,28,32)(H,33,34).
What are the key properties of 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid has a molecular weight of 464.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 46890276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).