(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C40H37F6N9O4 — CID 162020031

IUPAC(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.NC(=O)c1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1
InChIInChI=1S/C20H18F3N5O2.C20H19F3N4O2/c21-20(22,23)15-4-2-1-3-14(15)12-7-9-27(10-8-12)19(30)18-26-25-16-6-5-13(17(24)29)11-28(16)18;1-29-14-6-7-17-24-25-18(27(17)12-14)19(28)26-10-8-13(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h1-6,11-12H,7-10H2,(H2,24,29);2-7,12-13H,8-11H2,1H3
InChIKeyYUQBSOZTCWPKEW-UHFFFAOYSA-N
MW821.78 g/mol
LogP6.64
Rot. Bonds6

About (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 162020031) has the molecular formula C40H37F6N9O4 and a molecular weight of 821.78 g/mol. Its IUPAC name is (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID162020031
Molecular FormulaC40H37F6N9O4
Molecular Weight821.78 g/mol
Exact Mass821.29
IUPAC Name(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.NC(=O)c1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1
InChIInChI=1S/C20H18F3N5O2.C20H19F3N4O2/c21-20(22,23)15-4-2-1-3-14(15)12-7-9-27(10-8-12)19(30)18-26-25-16-6-5-13(17(24)29)11-28(16)18;1-29-14-6-7-17-24-25-18(27(17)12-14)19(28)26-10-8-13(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h1-6,11-12H,7-10H2,(H2,24,29);2-7,12-13H,8-11H2,1H3
InChIKeyYUQBSOZTCWPKEW-UHFFFAOYSA-N
XLogP6.64
TPSA153.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.78
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

(6-Methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118872312
US20250074919, Example A11
CID 168972122
US9550778, chem-us-00184
CID 121263012
2-methyl-N-[6-[3-[(6-morpholin-4-ylpyridin-2-yl)carbamoyl]-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-8-yl]oxypyridin-2-yl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123457530
7,8-dimethyl-N-[2-methyl-6-[[3-(pyrazin-2-ylcarbamoyl)-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123891714
N-(6-methoxypyridin-2-yl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyridin-2-yl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123944852
6-[1-[8-Fluoro-6-(5-methyl-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxy-1,6-naphthyridin-5-one
CID 130284172
5-(difluoromethoxy)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-2,4-dimethylpyrazole-3-carboxamide
CID 134278289
N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134278532
N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 134278687
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278799
N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 134278824

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 162020031) is (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.NC(=O)c1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.
What is the InChIKey of (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is YUQBSOZTCWPKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2.C20H19F3N4O2/c21-20(22,23)15-4-2-1-3-14(15)12-7-9-27(10-8-12)19(30)18-26-25-16-6-5-13(17(24)29)11-28(16)18;1-29-14-6-7-17-24-25-18(27(17)12-14)19(28)26-10-8-13(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h1-6,11-12H,7-10H2,(H2,24,29);2-7,12-13H,8-11H2,1H3.
What are the key properties of (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 821.78 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 162020031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).