2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid

C22H24N4O2 — CID 118030645

IUPAC2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
SMILESCc1nc(-c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)nc2)n[nH]1
InChIInChI=1S/C22H24N4O2/c1-14-24-22(26-25-14)19-10-11-20(23-13-19)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-21(27)28/h6-11,13,15-16H,2-5,12H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyZSIVMDFIFARNCP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds5

About 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid (PubChem CID 118030645) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
PubChem CID118030645
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
SMILESCc1nc(-c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)nc2)n[nH]1
InChIInChI=1S/C22H24N4O2/c1-14-24-22(26-25-14)19-10-11-20(23-13-19)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-21(27)28/h6-11,13,15-16H,2-5,12H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyZSIVMDFIFARNCP-UHFFFAOYSA-N
XLogP4.59
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid (CID 118030645) is 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid is Cc1nc(-c2ccc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)nc2)n[nH]1.
What is the InChIKey of 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The InChIKey is ZSIVMDFIFARNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-24-22(26-25-14)19-10-11-20(23-13-19)18-8-6-17(7-9-18)16-4-2-15(3-5-16)12-21(27)28/h6-11,13,15-16H,2-5,12H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid has a molecular weight of 376.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 118030645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).