(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

C38H37BrClF6N9O2 — CID 158179523

IUPAC(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
SMILESCN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrClF3N4O.C19H22F3N5O/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/h1-5,10-11H,6-9H2;2-5,13H,6-12H2,1H3
InChIKeyFYKGNWMFLBRYAQ-UHFFFAOYSA-N
MW881.12 g/mol
LogP7.95
Rot. Bonds4

About (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

(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 (PubChem CID 158179523) has the molecular formula C38H37BrClF6N9O2 and a molecular weight of 881.12 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-methyl-7,8-dihydro-5H-[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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID158179523
Molecular FormulaC38H37BrClF6N9O2
Molecular Weight881.12 g/mol
Exact Mass879.18
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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESCN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(F)(F)F)CC1
InChIInChI=1S/C19H15BrClF3N4O.C19H22F3N5O/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/h1-5,10-11H,6-9H2;2-5,13H,6-12H2,1H3
InChIKeyFYKGNWMFLBRYAQ-UHFFFAOYSA-N
XLogP7.95
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.12
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (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 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

(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(2-chloro-5-fluorophenyl) piperidin-1-yl)methanone
CID 118483329
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(2-chloro-3-fluorophenyl)piperidin-1-yl)methanone
CID 118483445
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(5-chloro-2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118483453
(6-Bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(3-chloro-2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118483535
[4-[3-Chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 118489193
[4-[5-Chloro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 118489197
[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;methane
CID 157196227
[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-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 157335689
(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
CID 157479005
[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
CID 157568609
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

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-methyl-7,8-dihydro-5H-[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-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) is (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.
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-methyl-7,8-dihydro-5H-[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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is CN1CCc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2C1.O=C(c1nnc2ccc(Br)cn12)N1CCC(c2cccc(Cl)c2C(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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is FYKGNWMFLBRYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClF3N4O.C19H22F3N5O/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/h1-5,10-11H,6-9H2;2-5,13H,6-12H2,1H3.
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-methyl-7,8-dihydro-5H-[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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 881.12 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 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-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 158179523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).