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

C20H24N4O4 — CID 46890274

IUPAC(4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CC[C@@H](C)C1
InChIInChI=1S/C20H24N4O4/c1-12-3-5-16(20(27)28)17(9-12)22-19(26)13(2)10-14-7-8-24(23-14)18-6-4-15(25)11-21-18/h4,6-8,11-13,25H,3,5,9-10H2,1-2H3,(H,22,26)(H,27,28)/t12-,13?/m1/s1
InChIKeyMAQNNXDIBALTGA-PZORYLMUSA-N
MW384.44 g/mol
LogP2.43
Rot. Bonds6

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

(4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid (PubChem CID 46890274) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
PubChem CID46890274
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid
SMILESCC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CC[C@@H](C)C1
InChIInChI=1S/C20H24N4O4/c1-12-3-5-16(20(27)28)17(9-12)22-19(26)13(2)10-14-7-8-24(23-14)18-6-4-15(25)11-21-18/h4,6-8,11-13,25H,3,5,9-10H2,1-2H3,(H,22,26)(H,27,28)/t12-,13?/m1/s1
InChIKeyMAQNNXDIBALTGA-PZORYLMUSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

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)-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
2-[[3-[1-(5-Hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 46890272
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 (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid?
The IUPAC name of (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid (CID 46890274) is (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid.
What is the SMILES notation for (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid?
The canonical SMILES for (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid is CC(Cc1ccn(-c2ccc(O)cn2)n1)C(=O)NC1=C(C(=O)O)CC[C@@H](C)C1.
What is the InChIKey of (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid?
The InChIKey is MAQNNXDIBALTGA-PZORYLMUSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12-3-5-16(20(27)28)17(9-12)22-19(26)13(2)10-14-7-8-24(23-14)18-6-4-15(25)11-21-18/h4,6-8,11-13,25H,3,5,9-10H2,1-2H3,(H,22,26)(H,27,28)/t12-,13?/m1/s1.
What are the key properties of (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid?
(4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[[3-[1-(5-hydroxy-2-pyridinyl)pyrazol-3-yl]-2-methylpropanoyl]amino]-4-methylcyclohexene-1-carboxylic acid is sourced from PubChem (CID 46890274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).