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

C20H24N4O4 — CID 46890238

IUPAC2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCc1c(CC(C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1
InChIInChI=1S/C20H24N4O4/c1-12(19(26)23-17-6-4-3-5-16(17)20(27)28)9-14-10-22-24(13(14)2)18-8-7-15(25)11-21-18/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyPDENJILFWPCWQR-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.49
Rot. Bonds6

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

2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (PubChem CID 46890238) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
PubChem CID46890238
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
SMILESCc1c(CC(C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1
InChIInChI=1S/C20H24N4O4/c1-12(19(26)23-17-6-4-3-5-16(17)20(27)28)9-14-10-22-24(13(14)2)18-8-7-15(25)11-21-18/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyPDENJILFWPCWQR-UHFFFAOYSA-N
XLogP2.49
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid with MolForge

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Related Compounds

2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]propanamido}benzoic acid
CID 24741310
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138079
2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)propanamido)cyclohex-1-enecarboxylicacid
CID 15986936
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)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
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890272
(4R)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2-methylpropanamido)-4-methylcyclohex-1-enecarboxylic acid
CID 46890274
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-propylcyclohexene-1-carboxylic acid
CID 46890275

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid (CID 46890238) is 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is Cc1c(CC(C)C(=O)NC2=C(C(=O)O)CCCC2)cnn1-c1ccc(O)cn1.
What is the InChIKey of 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
The InChIKey is PDENJILFWPCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(19(26)23-17-6-4-3-5-16(17)20(27)28)9-14-10-22-24(13(14)2)18-8-7-15(25)11-21-18/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,23,26)(H,27,28).
What are the key properties of 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid?
2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 46890238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).