[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C21H21F3N6O2 — CID 123191397

IUPAC[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1
InChIInChI=1S/C21H21F3N6O2/c1-13-5-7-16(19(28-13)30-26-9-10-27-30)20(31)29-11-3-4-17(14(29)2)32-18-8-6-15(12-25-18)21(22,23)24/h5-10,12,14,17H,3-4,11H2,1-2H3
InChIKeyQQXKYUMNBGVDRN-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.46
Rot. Bonds4

About [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 123191397) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID123191397
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1
InChIInChI=1S/C21H21F3N6O2/c1-13-5-7-16(19(28-13)30-26-9-10-27-30)20(31)29-11-3-4-17(14(29)2)32-18-8-6-15(12-25-18)21(22,23)24/h5-10,12,14,17H,3-4,11H2,1-2H3
InChIKeyQQXKYUMNBGVDRN-UHFFFAOYSA-N
XLogP3.46
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R,5R)-2-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291876
[(2R,5R)-5-[(4-iodo-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291877
[(2R,5R)-5-[(4-ethyl-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118736952
US9546152, example 89
CID 74221990
US9546152, example 2
CID 74222159
2-{[(3R,6R)-6-Methyl-1-{[2-(2H-tetrazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}-4-(trifluoromethyl)pyridine
CID 86291879
6-(triazol-2-yl)-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89464225
[4,4-Difluoro-3-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90286502
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]methanone
CID 90405964
[(2R,5R)-2-methyl-5-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 91809243
[(2R,5R)-5-[(4-fluoro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 117668910
[(2R,5R)-2-methyl-5-[(3-methyl-2-pyridinyl)oxy]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212746

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 123191397) is [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2C)c(-n2nccn2)n1.
What is the InChIKey of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is QQXKYUMNBGVDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-13-5-7-16(19(28-13)30-26-9-10-27-30)20(31)29-11-3-4-17(14(29)2)32-18-8-6-15(12-25-18)21(22,23)24/h5-10,12,14,17H,3-4,11H2,1-2H3.
What are the key properties of [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 446.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 123191397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).