(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C117H141BrClF18N27O8 — CID 158399104

IUPAC(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESC.C.C.C.C.C.CN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.CN1CCn2c(nnc2C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1COCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrClF3N4O.2C19H22F3N5O.C18H20F3N5O.2C18H19F3N4O2.6CH4/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)13-2-1-3-14(21)16(13)19(22,23)24;1-25-9-8-16-23-24-17(27(16)12-25)18(28)26-10-6-13(7-11-26)14-4-2-3-5-15(14)19(20,21)22;1-25-10-11-27-16(12-25)23-24-17(27)18(28)26-8-6-13(7-9-26)14-4-2-3-5-15(14)19(20,21)22;19-18(20,21)14-4-2-1-3-13(14)12-6-9-25(10-7-12)17(27)16-24-23-15-5-8-22-11-26(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-8-24(9-6-12)17(26)16-23-22-15-7-10-27-11-25(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16;;;;;;/h1-5,10-11H,6-9H2;2*2-5,13H,6-12H2,1H3;1-4,12,22H,5-11H2;2*1-4,12H,5-11H2;6*1H4
InChIKeyGXWPMELYDLQENZ-UHFFFAOYSA-N
MW2510.92 g/mol
LogP22.64
Rot. Bonds12

About (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158399104) has the molecular formula C117H141BrClF18N27O8 and a molecular weight of 2510.92 g/mol. Its IUPAC name is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID158399104
Molecular FormulaC117H141BrClF18N27O8
Molecular Weight2510.92 g/mol
Exact Mass2508.00
IUPAC Name(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESC.C.C.C.C.C.CN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.CN1CCn2c(nnc2C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1COCC2)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrClF3N4O.2C19H22F3N5O.C18H20F3N5O.2C18H19F3N4O2.6CH4/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)13-2-1-3-14(21)16(13)19(22,23)24;1-25-9-8-16-23-24-17(27(16)12-25)18(28)26-10-6-13(7-11-26)14-4-2-3-5-15(14)19(20,21)22;1-25-10-11-27-16(12-25)23-24-17(27)18(28)26-8-6-13(7-9-26)14-4-2-3-5-15(14)19(20,21)22;19-18(20,21)14-4-2-1-3-13(14)12-6-9-25(10-7-12)17(27)16-24-23-15-5-8-22-11-26(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-8-24(9-6-12)17(26)16-23-22-15-7-10-27-11-25(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16;;;;;;/h1-5,10-11H,6-9H2;2*2-5,13H,6-12H2,1H3;1-4,12,22H,5-11H2;2*1-4,12H,5-11H2;6*1H4
InChIKeyGXWPMELYDLQENZ-UHFFFAOYSA-N
XLogP22.64
TPSA342.57 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002510.92
LogP ≤ 522.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157677297
CID 157677297
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-5-methylphenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157793164
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158179523
CID 158469327
CID 158469327
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;N-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 158992144
[4-(2-Chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-(3-fluoro-5-methylphenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 159060553
[4-[3-Chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 159127699
3-[4-(2-Chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-(2-chloro-5-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159593681
[4-(2-Chloro-3-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;[4-[5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159607370
CID 160408571
CID 160408571
5-(5-Amino-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)-1-propan-2-ylpyridin-2-one;7-(2-chloro-4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-[2-chloro-6-(morpholin-4-ylmethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2-cyclopropyl-6-methyl-4-pyridinyl)-7-(2,4-difluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 160661924
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]methanone;(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-(2-chloro-3-fluorophenyl)piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;3-[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile;methane
CID 161076559

Frequently Asked Questions

What is the IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 158399104) is (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is C.C.C.C.C.C.CN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.CN1CCn2c(nnc2C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CNCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1COCC2)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is GXWPMELYDLQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClF3N4O.2C19H22F3N5O.C18H20F3N5O.2C18H19F3N4O2.6CH4/c20-12-4-5-15-25-26-17(28(15)10-12)18(29)27-8-6-11(7-9-27)13-2-1-3-14(21)16(13)19(22,23)24;1-25-9-8-16-23-24-17(27(16)12-25)18(28)26-10-6-13(7-11-26)14-4-2-3-5-15(14)19(20,21)22;1-25-10-11-27-16(12-25)23-24-17(27)18(28)26-8-6-13(7-9-26)14-4-2-3-5-15(14)19(20,21)22;19-18(20,21)14-4-2-1-3-13(14)12-6-9-25(10-7-12)17(27)16-24-23-15-5-8-22-11-26(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-8-24(9-6-12)17(26)16-23-22-15-7-10-27-11-25(15)16;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16;;;;;;/h1-5,10-11H,6-9H2;2*2-5,13H,6-12H2,1H3;1-4,12,22H,5-11H2;2*1-4,12H,5-11H2;6*1H4.
What are the key properties of (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 2510.92 g/mol, XLogP of 22.64, 12 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 158399104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).