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

C67H62F9N19O3 — CID 158829068

IUPAC(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1
InChIInChI=1S/2C23H21F3N6O.C21H20F3N7O/c1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(9-16)10-18-30-11-15(12-31-18)23(24,25)26;1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(10-16)9-15-11-31-18(12-30-15)23(24,25)26;1-12-4-5-25-18(19(12)31-28-6-7-29-31)20(32)30-15-2-3-16(30)13(9-15)8-14-10-27-17(11-26-14)21(22,23)24/h2*2,5-8,11-12,14,16-17H,3-4,9-10H2,1H3;4-7,10-11,13,15-16H,2-3,8-9H2,1H3
InChIKeyIWUXBMZCPLVHCK-UHFFFAOYSA-N
MW1352.34 g/mol
LogP10.80
Rot. Bonds12

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

(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158829068) has the molecular formula C67H62F9N19O3 and a molecular weight of 1352.34 g/mol. Its IUPAC name is (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID158829068
Molecular FormulaC67H62F9N19O3
Molecular Weight1352.34 g/mol
Exact Mass1351.51
IUPAC Name(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1
InChIInChI=1S/2C23H21F3N6O.C21H20F3N7O/c1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(9-16)10-18-30-11-15(12-31-18)23(24,25)26;1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(10-16)9-15-11-31-18(12-30-15)23(24,25)26;1-12-4-5-25-18(19(12)31-28-6-7-29-31)20(32)30-15-2-3-16(30)13(9-15)8-14-10-27-17(11-26-14)21(22,23)24/h2*2,5-8,11-12,14,16-17H,3-4,9-10H2,1H3;4-7,10-11,13,15-16H,2-3,8-9H2,1H3
InChIKeyIWUXBMZCPLVHCK-UHFFFAOYSA-N
XLogP10.80
TPSA259.21 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001352.34
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158829068) is (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-c1ncccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1.Cc1ccnc(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)c1-c1ncccn1.
What is the InChIKey of (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is IWUXBMZCPLVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21F3N6O.C21H20F3N7O/c1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(9-16)10-18-30-11-15(12-31-18)23(24,25)26;1-13-5-8-27-20(19(13)21-28-6-2-7-29-21)22(33)32-16-3-4-17(32)14(10-16)9-15-11-31-18(12-30-15)23(24,25)26;1-12-4-5-25-18(19(12)31-28-6-7-29-31)20(32)30-15-2-3-16(30)13(9-15)8-14-10-27-17(11-26-14)21(22,23)24/h2*2,5-8,11-12,14,16-17H,3-4,9-10H2,1H3;4-7,10-11,13,15-16H,2-3,8-9H2,1H3.
What are the key properties of (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1352.34 g/mol, XLogP of 10.80, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(4-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 158829068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).