[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C62H54F9N17O7 — CID 158704296

IUPAC[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)n1.Cc1cccc(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H19F3N4O3.C20H18F3N7O2.C20H17F3N6O2/c1-12-3-2-4-14(19(12)20-26-7-8-31-20)21(30)29-13-5-6-15(29)16(9-13)32-18-11-27-17(10-28-18)22(23,24)25;1-11-2-4-14(30-26-6-7-27-30)18(28-11)19(31)29-12-3-5-13(29)15(8-12)32-17-10-24-16(9-25-17)20(21,22)23;21-20(22,23)17-10-25-18(11-24-17)31-16-9-12-5-6-15(16)28(12)19(30)13-3-1-2-4-14(13)29-26-7-8-27-29/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3;2,4,6-7,9-10,12-13,15H,3,5,8H2,1H3;1-4,7-8,10-12,15-16H,5-6,9H2
InChIKeyIHXRILXWUQSFOG-UHFFFAOYSA-N
MW1320.21 g/mol
LogP9.79
Rot. Bonds12

About [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone

[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158704296) has the molecular formula C62H54F9N17O7 and a molecular weight of 1320.21 g/mol. Its IUPAC name is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID158704296
Molecular FormulaC62H54F9N17O7
Molecular Weight1320.21 g/mol
Exact Mass1319.42
IUPAC Name[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)n1.Cc1cccc(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C22H19F3N4O3.C20H18F3N7O2.C20H17F3N6O2/c1-12-3-2-4-14(19(12)20-26-7-8-31-20)21(30)29-13-5-6-15(29)16(9-13)32-18-11-27-17(10-28-18)22(23,24)25;1-11-2-4-14(30-26-6-7-27-30)18(28-11)19(31)29-12-3-5-13(29)15(8-12)32-17-10-24-16(9-25-17)20(21,22)23;21-20(22,23)17-10-25-18(11-24-17)31-16-9-12-5-6-15(16)28(12)19(30)13-3-1-2-4-14(13)29-26-7-8-27-29/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3;2,4,6-7,9-10,12-13,15H,3,5,8H2,1H3;1-4,7-8,10-12,15-16H,5-6,9H2
InChIKeyIHXRILXWUQSFOG-UHFFFAOYSA-N
XLogP9.79
TPSA266.30 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms95
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001320.21
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158704296) is [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)n1.Cc1cccc(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1.O=C(c1ccccc1-n1nccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2.
What is the InChIKey of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is IHXRILXWUQSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3.C20H18F3N7O2.C20H17F3N6O2/c1-12-3-2-4-14(19(12)20-26-7-8-31-20)21(30)29-13-5-6-15(29)16(9-13)32-18-11-27-17(10-28-18)22(23,24)25;1-11-2-4-14(30-26-6-7-27-30)18(28-11)19(31)29-12-3-5-13(29)15(8-12)32-17-10-24-16(9-25-17)20(21,22)23;21-20(22,23)17-10-25-18(11-24-17)31-16-9-12-5-6-15(16)28(12)19(30)13-3-1-2-4-14(13)29-26-7-8-27-29/h2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3;2,4,6-7,9-10,12-13,15H,3,5,8H2,1H3;1-4,7-8,10-12,15-16H,5-6,9H2.
What are the key properties of [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1320.21 g/mol, XLogP of 9.79, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 158704296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).