(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone — IUPAC name, SMILES, InChIKey & properties

Name: (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158811364) has the molecular formula C65H53F11N16O6 and a molecular weight of 1363.22 g/mol. Its IUPAC name is (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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	(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID	158811364
Molecular Formula	C65H53F11N16O6
Molecular Weight	1363.22 g/mol
Exact Mass	1362.42
IUPAC Name	(2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILES	Cc1cccc(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1.O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2.O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2
InChI	InChI=1S/2C22H17F4N5O2.C21H19F3N6O2/c23-12-2-4-14(20-27-6-1-7-28-20)15(8-12)21(32)31-13-3-5-16(31)17(9-13)33-19-11-29-18(10-30-19)22(24,25)26;23-14-4-1-3-13(20-27-7-2-8-28-20)19(14)21(32)31-12-5-6-15(31)16(9-12)33-18-11-29-17(10-30-18)22(24,25)26;1-12-3-2-4-14(19(12)30-27-7-8-28-30)20(31)29-13-5-6-15(29)16(9-13)32-18-11-25-17(10-26-18)21(22,23)24/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2;1-4,7-8,10-12,15-16H,5-6,9H2;2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3
InChIKey	IUSQYNHEUUGNPQ-UHFFFAOYSA-N
XLogP	11.04
TPSA	248.23 Å²
H-Bond Donors
H-Bond Acceptors	19
Rotatable Bonds	12
Heavy Atoms	98
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1363.22
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Analyze (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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 (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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 (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158811364) is (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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 (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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 (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1cccc(C(=O)N2C3CCC2C(Oc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1.O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2.O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(Oc1cnc(C(F)(F)F)cn1)C2.

What is the InChIKey of (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

The InChIKey is IUSQYNHEUUGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17F4N5O2.C21H19F3N6O2/c23-12-2-4-14(20-27-6-1-7-28-20)15(8-12)21(32)31-13-3-5-16(31)17(9-13)33-19-11-29-18(10-30-19)22(24,25)26;23-14-4-1-3-13(20-27-7-2-8-28-20)19(14)21(32)31-12-5-6-15(31)16(9-12)33-18-11-29-17(10-30-18)22(24,25)26;1-12-3-2-4-14(19(12)30-27-7-8-28-30)20(31)29-13-5-6-15(29)16(9-13)32-18-11-25-17(10-26-18)21(22,23)24/h1-2,4,6-8,10-11,13,16-17H,3,5,9H2;1-4,7-8,10-12,15-16H,5-6,9H2;2-4,7-8,10-11,13,15-16H,5-6,9H2,1H3.

What are the key properties of (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone?

Where does this data come from?

All data for (2-fluoro-6-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrazin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-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 158811364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).