[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate

C23H30F3N5O3 — CID 145423771

IUPAC[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1c(-c2cnc(OC3CCCCC3)c(C(F)(F)F)c2)nnn1C)C1CCCC1
InChIInChI=1S/C23H30F3N5O3/c1-30(16-8-6-7-9-16)22(32)33-14-19-20(28-29-31(19)2)15-12-18(23(24,25)26)21(27-13-15)34-17-10-4-3-5-11-17/h12-13,16-17H,3-11,14H2,1-2H3
InChIKeyYRASOSZVXAJOAR-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.12
Rot. Bonds6

About [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate

[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 145423771) has the molecular formula C23H30F3N5O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID145423771
Molecular FormulaC23H30F3N5O3
Molecular Weight481.52 g/mol
Exact Mass481.23
IUPAC Name[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1c(-c2cnc(OC3CCCCC3)c(C(F)(F)F)c2)nnn1C)C1CCCC1
InChIInChI=1S/C23H30F3N5O3/c1-30(16-8-6-7-9-16)22(32)33-14-19-20(28-29-31(19)2)15-12-18(23(24,25)26)21(27-13-15)34-17-10-4-3-5-11-17/h12-13,16-17H,3-11,14H2,1-2H3
InChIKeyYRASOSZVXAJOAR-UHFFFAOYSA-N
XLogP5.12
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate 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 [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 145423771) is [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate is CN(C(=O)OCc1c(-c2cnc(OC3CCCCC3)c(C(F)(F)F)c2)nnn1C)C1CCCC1.
What is the InChIKey of [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is YRASOSZVXAJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O3/c1-30(16-8-6-7-9-16)22(32)33-14-19-20(28-29-31(19)2)15-12-18(23(24,25)26)21(27-13-15)34-17-10-4-3-5-11-17/h12-13,16-17H,3-11,14H2,1-2H3.
What are the key properties of [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate?
[5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 481.52 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[6-cyclohexyloxy-5-(trifluoromethyl)-3-pyridinyl]-3-methyltriazol-4-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 145423771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).