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

C26H30FN5O2 — CID 71611030

IUPAC2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C2CCN(c3ccc(-c4n[nH]c(-c5ccc(F)cc5)n4)cn3)CC2)CC1
InChIInChI=1S/C26H30FN5O2/c27-22-8-5-20(6-9-22)25-29-26(31-30-25)21-7-10-23(28-16-21)32-13-11-19(12-14-32)18-3-1-17(2-4-18)15-24(33)34/h5-10,16-19H,1-4,11-15H2,(H,33,34)(H,29,30,31)
InChIKeyLXVVEVUSCTWCCZ-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.17
Rot. Bonds6

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

2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid (PubChem CID 71611030) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid
PubChem CID71611030
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(C2CCN(c3ccc(-c4n[nH]c(-c5ccc(F)cc5)n4)cn3)CC2)CC1
InChIInChI=1S/C26H30FN5O2/c27-22-8-5-20(6-9-22)25-29-26(31-30-25)21-7-10-23(28-16-21)32-13-11-19(12-14-32)18-3-1-17(2-4-18)15-24(33)34/h5-10,16-19H,1-4,11-15H2,(H,33,34)(H,29,30,31)
InChIKeyLXVVEVUSCTWCCZ-UHFFFAOYSA-N
XLogP5.17
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]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-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid (CID 71611030) is 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid is O=C(O)CC1CCC(C2CCN(c3ccc(-c4n[nH]c(-c5ccc(F)cc5)n4)cn3)CC2)CC1.
What is the InChIKey of 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid?
The InChIKey is LXVVEVUSCTWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c27-22-8-5-20(6-9-22)25-29-26(31-30-25)21-7-10-23(28-16-21)32-13-11-19(12-14-32)18-3-1-17(2-4-18)15-24(33)34/h5-10,16-19H,1-4,11-15H2,(H,33,34)(H,29,30,31).
What are the key properties of 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid?
2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid has a molecular weight of 463.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-yl]cyclohexyl]acetic acid is sourced from PubChem (CID 71611030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).