8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine

C20H19ClF4N4O — CID 57459499

IUPAC8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2Cl)CC1
InChIInChI=1S/C20H19ClF4N4O/c1-30-15-4-2-3-13(22)17(15)12-5-8-28(9-6-12)14-7-10-29-16(11-20(23,24)25)26-27-19(29)18(14)21/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyAUVJPLIAAMTDRB-UHFFFAOYSA-N
MW442.84 g/mol
LogP5.02
Rot. Bonds4

About 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 57459499) has the molecular formula C20H19ClF4N4O and a molecular weight of 442.84 g/mol. Its IUPAC name is 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID57459499
Molecular FormulaC20H19ClF4N4O
Molecular Weight442.84 g/mol
Exact Mass442.12
IUPAC Name8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2Cl)CC1
InChIInChI=1S/C20H19ClF4N4O/c1-30-15-4-2-3-13(22)17(15)12-5-8-28(9-6-12)14-7-10-29-16(11-20(23,24)25)26-27-19(29)18(14)21/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyAUVJPLIAAMTDRB-UHFFFAOYSA-N
XLogP5.02
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.84
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

Jnj-42491293
CID 71461395
3-(Cyclopropylmethyl)-7-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49801368
8-Chloro-7-[4-(2,6-dimethylpyridin-3-yl)oxy-3-fluorophenyl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49801369
8-Chloro-3-(cyclopropylmethyl)-7-[3-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 49801371
CID 57459482
CID 57459482
8-Chloro-3-(cyclopropylmethyl)-7-[4-(5-fluoro-2-methoxyphenyl)-1-piperidinyl]-1,2,4-triazolo[4,3-a]pyridine
CID 57459488
8-Chloro-3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459494
CID 57459497
CID 57459497
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66598128
3-(Cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxypyridin-3-yl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66784675
8-Chloro-3-(cyclopropylmethyl)-7-[4-[(2-ethyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66785101
8-Chloro-3-(cyclopropylmethyl)-7-[4-[(2-cyclopropyl-4-pyridinyl)oxy]-3-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 66785182

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 57459499) is 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1C1CCN(c2ccn3c(CC(F)(F)F)nnc3c2Cl)CC1.
What is the InChIKey of 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AUVJPLIAAMTDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF4N4O/c1-30-15-4-2-3-13(22)17(15)12-5-8-28(9-6-12)14-7-10-29-16(11-20(23,24)25)26-27-19(29)18(14)21/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 442.84 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 57459499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).