3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

C23H26FN3O2 — CID 122488785

IUPAC3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1(c2ccc(F)cc2)CCC(Oc2ccn3c(C4CC4)nnc3c2C)CC1
InChIInChI=1S/C23H26FN3O2/c1-15-20(11-14-27-21(15)25-26-22(27)16-3-4-16)29-19-9-12-23(28-2,13-10-19)17-5-7-18(24)8-6-17/h5-8,11,14,16,19H,3-4,9-10,12-13H2,1-2H3
InChIKeyJYEQIQSKHFJCCU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.92
Rot. Bonds5

About 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine

3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 122488785) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID122488785
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1(c2ccc(F)cc2)CCC(Oc2ccn3c(C4CC4)nnc3c2C)CC1
InChIInChI=1S/C23H26FN3O2/c1-15-20(11-14-27-21(15)25-26-22(27)16-3-4-16)29-19-9-12-23(28-2,13-10-19)17-5-7-18(24)8-6-17/h5-8,11,14,16,19H,3-4,9-10,12-13H2,1-2H3
InChIKeyJYEQIQSKHFJCCU-UHFFFAOYSA-N
XLogP4.92
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-(4-fluorophenyl)-4-methoxycyclohexane-1-carboxamide
CID 89478672
acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene
CID 144811150
4-(4-fluorophenyl)-4-methoxypiperidine
CID 68567119
7-(2-fluorophenyl)-8-methoxy-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 169156279
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478080
3-cyclopropyl-8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 133477979
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 53166658
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
3-[[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]-1-(2-methoxy-3,5-ditritiophenyl)cyclobutane-1-carbonitrile
CID 122488793
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
7-(4-methoxycyclohexyl)oxy-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 144811035
8-chloro-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 84700451

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 122488785) is 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is COC1(c2ccc(F)cc2)CCC(Oc2ccn3c(C4CC4)nnc3c2C)CC1.
What is the InChIKey of 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JYEQIQSKHFJCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-20(11-14-27-21(15)25-26-22(27)16-3-4-16)29-19-9-12-23(28-2,13-10-19)17-5-7-18(24)8-6-17/h5-8,11,14,16,19H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 395.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[4-(4-fluorophenyl)-4-methoxycyclohexyl]oxy-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 122488785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).