[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C65H58F10N16O5 — CID 158865958

IUPAC[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cc2F)C3)c1-n1nccn1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H20F4N6O.C22H20F3N5O2.C21H18F3N5O2/c1-12-4-5-27-19(20(12)32-29-6-7-30-32)21(33)31-15-2-3-18(31)13(8-15)9-17-16(23)10-14(11-28-17)22(24,25)26;1-13-3-2-4-16(20(13)30-27-9-10-28-30)21(31)29-15-6-7-17(29)18(11-15)32-19-8-5-14(12-26-19)22(23,24)25;22-21(23,24)13-5-8-19(25-12-13)31-18-11-14-6-7-17(18)28(14)20(30)15-3-1-2-4-16(15)29-26-9-10-27-29/h4-7,10-11,13,15,18H,2-3,8-9H2,1H3;2-5,8-10,12,15,17-18H,6-7,11H2,1H3;1-5,8-10,12,14,17-18H,6-7,11H2
InChIKeyJBFSQGDFWJNMHI-UHFFFAOYSA-N
MW1333.27 g/mol
LogP11.08
Rot. Bonds12

About [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158865958) has the molecular formula C65H58F10N16O5 and a molecular weight of 1333.27 g/mol. Its IUPAC name is [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID158865958
Molecular FormulaC65H58F10N16O5
Molecular Weight1333.27 g/mol
Exact Mass1332.46
IUPAC Name[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cc2F)C3)c1-n1nccn1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H20F4N6O.C22H20F3N5O2.C21H18F3N5O2/c1-12-4-5-27-19(20(12)32-29-6-7-30-32)21(33)31-15-2-3-18(31)13(8-15)9-17-16(23)10-14(11-28-17)22(24,25)26;1-13-3-2-4-16(20(13)30-27-9-10-28-30)21(31)29-15-6-7-17(29)18(11-15)32-19-8-5-14(12-26-19)22(23,24)25;22-21(23,24)13-5-8-19(25-12-13)31-18-11-14-6-7-17(18)28(14)20(30)15-3-1-2-4-16(15)29-26-9-10-27-29/h4-7,10-11,13,15,18H,2-3,8-9H2,1H3;2-5,8-10,12,15,17-18H,6-7,11H2,1H3;1-5,8-10,12,14,17-18H,6-7,11H2
InChIKeyJBFSQGDFWJNMHI-UHFFFAOYSA-N
XLogP11.08
TPSA223.08 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.27
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

(R/S)-(3-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90442516
(R/S)-(3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)-2-((5-(trifluoromethyl)pyridin-2-yl)oxy)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 118880093
[6-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(1S,2R,4R)-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411922
[5-fluoro-2-(triazol-2-yl)phenyl]-[(1S,2R,4R)-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411985
[3-methyl-2-(triazol-2-yl)phenyl]-[(1S,2R,4R)-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412450
[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(1S,2R,4R)-2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412772
[5-Fluoro-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90442513
[6-Methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90442520
[5-Methyl-3-(triazol-2-yl)pyridin-2-yl]-[2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90442525
[4,5-Difluoro-2-[4-[[1-[3-fluoro-2-[4-[1-[4-fluoro-2-methyl-6-(triazol-2-yl)benzoyl]-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-4-yl]triazol-2-yl]-6-methylbenzoyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123746299
[4-Fluoro-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyridin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 124163633
N-ethyl-6-[2-[2-[ethyl-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamoyl]-3-pyridinyl]triazol-4-yl]-3-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-2-carboxamide
CID 155048134

Frequently Asked Questions

What is the IUPAC name of [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158865958) is [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Oc2ccc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cc2F)C3)c1-n1nccn1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1ccc(C(F)(F)F)cn1)C2.
What is the InChIKey of [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is JBFSQGDFWJNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O.C22H20F3N5O2.C21H18F3N5O2/c1-12-4-5-27-19(20(12)32-29-6-7-30-32)21(33)31-15-2-3-18(31)13(8-15)9-17-16(23)10-14(11-28-17)22(24,25)26;1-13-3-2-4-16(20(13)30-27-9-10-28-30)21(31)29-15-6-7-17(29)18(11-15)32-19-8-5-14(12-26-19)22(23,24)25;22-21(23,24)13-5-8-19(25-12-13)31-18-11-14-6-7-17(18)28(14)20(30)15-3-1-2-4-16(15)29-26-9-10-27-29/h4-7,10-11,13,15,18H,2-3,8-9H2,1H3;2-5,8-10,12,15,17-18H,6-7,11H2,1H3;1-5,8-10,12,14,17-18H,6-7,11H2.
What are the key properties of [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1333.27 g/mol, XLogP of 11.08, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 158865958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).