8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C43H47ClF4N8 — CID 158134952

IUPAC8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C22H22F4N4.C21H25ClN4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26;1-15(2)14-19-23-24-21-20(22)18(10-13-26(19)21)25-11-8-17(9-12-25)16-6-4-3-5-7-16/h1-5,8,11,15H,6-7,9-10,12-14H2;3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
InChIKeyFTFTVMBHRSOABJ-UHFFFAOYSA-N
MW787.35 g/mol
LogP10.13
Rot. Bonds8

About 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158134952) has the molecular formula C43H47ClF4N8 and a molecular weight of 787.35 g/mol. Its IUPAC name is 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158134952
Molecular FormulaC43H47ClF4N8
Molecular Weight787.35 g/mol
Exact Mass786.35
IUPAC Name8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C22H22F4N4.C21H25ClN4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26;1-15(2)14-19-23-24-21-20(22)18(10-13-26(19)21)25-11-8-17(9-12-25)16-6-4-3-5-7-16/h1-5,8,11,15H,6-7,9-10,12-14H2;3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
InChIKeyFTFTVMBHRSOABJ-UHFFFAOYSA-N
XLogP10.13
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.35
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

Jnj-42153605
CID 49765871
6-Chloro-5-methyl-2-[2-[2-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 165414851
6-Chloro-5-methyl-2-[2-[1-(2-methyl-4-pyridinyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 165414855
[3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-cyclopropylmethyl-propyl-amine
CID 44392711
8-Chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49822037
8-Chloro-3-ethyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459481
8-Chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluorophenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459487
3-Ethyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459500
3-Butyl-7-(4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459501
8-Chloro-3-(cyclopropylmethyl)-7-[4-phenyl-4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459504
3-(Cyclopropylmethyl)-7-(4-pyridin-3-ylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459542
3-(Cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459635

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 158134952) is 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Cc1nnc2c(Cl)c(N3CCC(c4ccccc4)CC3)ccn12.FC(F)(F)c1c(N2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FTFTVMBHRSOABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4.C21H25ClN4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26;1-15(2)14-19-23-24-21-20(22)18(10-13-26(19)21)25-11-8-17(9-12-25)16-6-4-3-5-7-16/h1-5,8,11,15H,6-7,9-10,12-14H2;3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3.
What are the key properties of 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 787.35 g/mol, XLogP of 10.13, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-methylpropyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158134952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).