(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C70H64F11N17O3 — CID 160593500

IUPAC(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1F.Cc1ccc(F)c(-c2ncccn2)c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.Cc1cnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1C
InChIInChI=1S/C24H21F4N5O.C24H23F3N6O.C22H20F4N6O/c1-13-3-5-17(25)21(22-29-7-2-8-30-22)20(13)23(34)33-16-4-6-18(33)14(10-16)9-15-11-32-19(12-31-15)24(26,27)28;1-13-10-32-21(20(14(13)2)22-28-6-3-7-29-22)23(34)33-17-4-5-18(33)15(9-17)8-16-11-31-19(12-30-16)24(25,26)27;1-12-2-4-16(20(19(12)23)32-29-6-7-30-32)21(33)31-15-3-5-17(31)13(9-15)8-14-10-28-18(11-27-14)22(24,25)26/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;3,6-7,10-12,15,17-18H,4-5,8-9H2,1-2H3;2,4,6-7,10-11,13,15,17H,3,5,8-9H2,1H3
InChIKeyRDIGHJHMJMEFRS-UHFFFAOYSA-N
MW1400.38 g/mol
LogP12.60
Rot. Bonds12

About (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 160593500) has the molecular formula C70H64F11N17O3 and a molecular weight of 1400.38 g/mol. Its IUPAC name is (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID160593500
Molecular FormulaC70H64F11N17O3
Molecular Weight1400.38 g/mol
Exact Mass1399.52
IUPAC Name(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1F.Cc1ccc(F)c(-c2ncccn2)c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.Cc1cnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1C
InChIInChI=1S/C24H21F4N5O.C24H23F3N6O.C22H20F4N6O/c1-13-3-5-17(25)21(22-29-7-2-8-30-22)20(13)23(34)33-16-4-6-18(33)14(10-16)9-15-11-32-19(12-31-15)24(26,27)28;1-13-10-32-21(20(14(13)2)22-28-6-3-7-29-22)23(34)33-17-4-5-18(33)15(9-17)8-16-11-31-19(12-30-16)24(25,26)27;1-12-2-4-16(20(19(12)23)32-29-6-7-30-32)21(33)31-15-3-5-17(31)13(9-15)8-14-10-28-18(11-27-14)22(24,25)26/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;3,6-7,10-12,15,17-18H,4-5,8-9H2,1-2H3;2,4,6-7,10-11,13,15,17H,3,5,8-9H2,1H3
InChIKeyRDIGHJHMJMEFRS-UHFFFAOYSA-N
XLogP12.60
TPSA233.43 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001400.38
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

CID 171037439
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CID 163656172
CID 163656172
CID 123200048
CID 123200048
CID 123233507
CID 123233507
CID 123640419
CID 123640419
CID 123701302
CID 123701302
CID 123753847
CID 123753847
CID 132181501
CID 132181501
CID 137390007
CID 137390007
CID 138655261
CID 138655261

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 160593500) is (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1F.Cc1ccc(F)c(-c2ncccn2)c1C(=O)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.Cc1cnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c(-c2ncccn2)c1C.
What is the InChIKey of (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is RDIGHJHMJMEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O.C24H23F3N6O.C22H20F4N6O/c1-13-3-5-17(25)21(22-29-7-2-8-30-22)20(13)23(34)33-16-4-6-18(33)14(10-16)9-15-11-32-19(12-31-15)24(26,27)28;1-13-10-32-21(20(14(13)2)22-28-6-3-7-29-22)23(34)33-17-4-5-18(33)15(9-17)8-16-11-31-19(12-30-16)24(25,26)27;1-12-2-4-16(20(19(12)23)32-29-6-7-30-32)21(33)31-15-3-5-17(31)13(9-15)8-14-10-28-18(11-27-14)22(24,25)26/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;3,6-7,10-12,15,17-18H,4-5,8-9H2,1-2H3;2,4,6-7,10-11,13,15,17H,3,5,8-9H2,1H3.
What are the key properties of (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1400.38 g/mol, XLogP of 12.60, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 160593500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).