[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C62H55F9N18O6 — CID 159315690

IUPAC[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1.Cc1cnc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1.O=C(c1cccnc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/2C21H19F3N6O2.C20H17F3N6O2/c1-12-2-5-15(19(28-12)30-26-8-9-27-30)20(31)29-14-4-6-16(29)17(10-14)32-18-7-3-13(11-25-18)21(22,23)24;1-12-8-15(19(26-10-12)30-27-6-7-28-30)20(31)29-14-3-4-16(29)17(9-14)32-18-5-2-13(11-25-18)21(22,23)24;21-20(22,23)12-3-6-17(25-11-12)31-16-10-13-4-5-15(16)28(13)19(30)14-2-1-7-24-18(14)29-26-8-9-27-29/h2-3,5,7-9,11,14,16-17H,4,6,10H2,1H3;2,5-8,10-11,14,16-17H,3-4,9H2,1H3;1-3,6-9,11,13,15-16H,4-5,10H2
InChIKeyLDCKPBAINPSKNW-UHFFFAOYSA-N
MW1319.22 g/mol
LogP9.32
Rot. Bonds12

About [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 159315690) has the molecular formula C62H55F9N18O6 and a molecular weight of 1319.22 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID159315690
Molecular FormulaC62H55F9N18O6
Molecular Weight1319.22 g/mol
Exact Mass1318.44
IUPAC Name[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1.Cc1cnc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1.O=C(c1cccnc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/2C21H19F3N6O2.C20H17F3N6O2/c1-12-2-5-15(19(28-12)30-26-8-9-27-30)20(31)29-14-4-6-16(29)17(10-14)32-18-7-3-13(11-25-18)21(22,23)24;1-12-8-15(19(26-10-12)30-27-6-7-28-30)20(31)29-14-3-4-16(29)17(9-14)32-18-5-2-13(11-25-18)21(22,23)24;21-20(22,23)12-3-6-17(25-11-12)31-16-10-13-4-5-15(16)28(13)19(30)14-2-1-7-24-18(14)29-26-8-9-27-29/h2-3,5,7-9,11,14,16-17H,4,6,10H2,1H3;2,5-8,10-11,14,16-17H,3-4,9H2,1H3;1-3,6-9,11,13,15-16H,4-5,10H2
InChIKeyLDCKPBAINPSKNW-UHFFFAOYSA-N
XLogP9.32
TPSA258.09 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.22
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-Methyl-2-(triazol-2-yl)pyridin-3-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86271972
(6-methyl-2-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630167
(R/S)-(6-methyl-2-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118880096
US9611262, Example 10
CID 118939703
(R/S)-(2-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118880095
(R/S)-(5-methyl-2-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118880098
[6-methyl-2-(triazol-2-yl)pyridin-3-yl]-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414164
[(2S,3R)-3-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)pyridin-3-yl]methanone
CID 117630259
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(1S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939705
[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(1S,3R,4R,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939735
2-[1-[2-[4-[[3-[5-[(3-Cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-4-[4-[[5-[5-[(3-cyano-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carbonyl]-6-(triazol-2-yl)-2-pyridinyl]oxymethyl]triazol-2-yl]phenyl]methyl]triazol-2-yl]-3-fluorobenzoyl]-6-methylpiperidin-3-yl]oxy-4-methylpyridine-3-carbonitrile
CID 123155799
[6-Methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 123191397

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 159315690) is [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1.Cc1cnc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1.O=C(c1cccnc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is LDCKPBAINPSKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19F3N6O2.C20H17F3N6O2/c1-12-2-5-15(19(28-12)30-26-8-9-27-30)20(31)29-14-4-6-16(29)17(10-14)32-18-7-3-13(11-25-18)21(22,23)24;1-12-8-15(19(26-10-12)30-27-6-7-28-30)20(31)29-14-3-4-16(29)17(9-14)32-18-5-2-13(11-25-18)21(22,23)24;21-20(22,23)12-3-6-17(25-11-12)31-16-10-13-4-5-15(16)28(13)19(30)14-2-1-7-24-18(14)29-26-8-9-27-29/h2-3,5,7-9,11,14,16-17H,4,6,10H2,1H3;2,5-8,10-11,14,16-17H,3-4,9H2,1H3;1-3,6-9,11,13,15-16H,4-5,10H2.
What are the key properties of [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1319.22 g/mol, XLogP of 9.32, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 159315690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).