(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C63H62F10N14O5 — CID 160544141

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2.Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C23H21F3N6O.C21H23F3N4O2.C19H18F4N4O2/c1-13-3-5-17(21-27-7-2-8-28-21)20(31-13)22(33)32-16-4-6-18(32)14(9-16)10-19-29-11-15(12-30-19)23(24,25)26;1-3-30-17-7-4-12(2)27-19(17)20(29)28-15-5-6-16(28)13(8-15)9-18-25-10-14(11-26-18)21(22,23)24;1-29-16-12(3-2-4-13(16)20)17(28)27-11-5-6-15(27)14(7-11)26-18-24-8-10(9-25-18)19(21,22)23/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;4,7,10-11,13,15-16H,3,5-6,8-9H2,1-2H3;2-4,8-9,11,14-15H,5-7H2,1H3,(H,24,25,26)
InChIKeyQXEQPXKTXDWQIJ-UHFFFAOYSA-N
MW1285.26 g/mol
LogP11.23
Rot. Bonds13

About (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 160544141) has the molecular formula C63H62F10N14O5 and a molecular weight of 1285.26 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID160544141
Molecular FormulaC63H62F10N14O5
Molecular Weight1285.26 g/mol
Exact Mass1284.49
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2.Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)n1
InChIInChI=1S/C23H21F3N6O.C21H23F3N4O2.C19H18F4N4O2/c1-13-3-5-17(21-27-7-2-8-28-21)20(31-13)22(33)32-16-4-6-18(32)14(9-16)10-19-29-11-15(12-30-19)23(24,25)26;1-3-30-17-7-4-12(2)27-19(17)20(29)28-15-5-6-16(28)13(8-15)9-18-25-10-14(11-26-18)21(22,23)24;1-29-16-12(3-2-4-13(16)20)17(28)27-11-5-6-15(27)14(7-11)26-18-24-8-10(9-25-18)19(21,22)23/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;4,7,10-11,13,15-16H,3,5-6,8-9H2,1-2H3;2-4,8-9,11,14-15H,5-7H2,1H3,(H,24,25,26)
InChIKeyQXEQPXKTXDWQIJ-UHFFFAOYSA-N
XLogP11.23
TPSA220.32 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms92
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.26
LogP ≤ 511.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-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 (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 160544141) is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Cc1ncc(C(F)(F)F)cn1)C2.COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2.Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Cc2ncc(C(F)(F)F)cn2)C3)n1.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is QXEQPXKTXDWQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O.C21H23F3N4O2.C19H18F4N4O2/c1-13-3-5-17(21-27-7-2-8-28-21)20(31-13)22(33)32-16-4-6-18(32)14(9-16)10-19-29-11-15(12-30-19)23(24,25)26;1-3-30-17-7-4-12(2)27-19(17)20(29)28-15-5-6-16(28)13(8-15)9-18-25-10-14(11-26-18)21(22,23)24;1-29-16-12(3-2-4-13(16)20)17(28)27-11-5-6-15(27)14(7-11)26-18-24-8-10(9-25-18)19(21,22)23/h2-3,5,7-8,11-12,14,16,18H,4,6,9-10H2,1H3;4,7,10-11,13,15-16H,3,5-6,8-9H2,1-2H3;2-4,8-9,11,14-15H,5-7H2,1H3,(H,24,25,26).
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1285.26 g/mol, XLogP of 11.23, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-methoxyphenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 160544141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).