5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid

C68H69BrF6N14O6 — CID 160636250

About 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid

5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid (PubChem CID 160636250) has the molecular formula C68H69BrF6N14O6 and a molecular weight of 1372.28 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid.

Molecular Properties

• Compound Name: 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
• PubChem CID: 160636250
• Molecular Formula: C68H69BrF6N14O6
• Molecular Weight: 1372.28 g/mol
• Exact Mass: 1370.46
• IUPAC Name: 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
• SMILES: CC.CCOC(=O)CC1(CC(F)(F)F)CCc2cc(-c3cnc(Nc4ccc(C)nc4)cn3)ccc2C1=O.Cc1ccc(N)cn1.Cc1ccc(Nc2cnc(-c3ccc4c(c3)CCC(CC(=O)O)(CC(F)(F)F)C4=O)cn2)cn1.Cc1ccc(Nc2cnc(Br)cn2)cn1
• InChI: InChI=1S/C26H25F3N4O3.C24H21F3N4O3.C10H9BrN4.C6H8N2.C2H6/c1-3-36-23(34)11-25(15-26(27,28)29)9-8-17-10-18(5-7-20(17)24(25)35)21-13-32-22(14-31-21)33-19-6-4-16(2)30-12-19;1-14-2-4-17(10-28-14)31-20-12-29-19(11-30-20)16-3-5-18-15(8-16)6-7-23(22(18)34,9-21(32)33)13-24(25,26)27;1-7-2-3-8(4-12-7)15-10-6-13-9(11)5-14-10;1-5-2-3-6(7)4-8-5;1-2/h4-7,10,12-14H,3,8-9,11,15H2,1-2H3,(H,32,33);2-5,8,10-12H,6-7,9,13H2,1H3,(H,30,31)(H,32,33);2-6H,1H3,(H,14,15);2-4H,7H2,1H3;1-2H3
• InChIKey: RIONRAPCJJKNKX-UHFFFAOYSA-N
• XLogP: 15.43
• TPSA: 288.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.28
LogP ≤ 5	15.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid?

The IUPAC name of 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid (CID 160636250) is 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid.

What is the SMILES notation for 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid?

The canonical SMILES for 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid is CC.CCOC(=O)CC1(CC(F)(F)F)CCc2cc(-c3cnc(Nc4ccc(C)nc4)cn3)ccc2C1=O.Cc1ccc(N)cn1.Cc1ccc(Nc2cnc(-c3ccc4c(c3)CCC(CC(=O)O)(CC(F)(F)F)C4=O)cn2)cn1.Cc1ccc(Nc2cnc(Br)cn2)cn1.

What is the InChIKey of 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid?

The InChIKey is RIONRAPCJJKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3.C24H21F3N4O3.C10H9BrN4.C6H8N2.C2H6/c1-3-36-23(34)11-25(15-26(27,28)29)9-8-17-10-18(5-7-20(17)24(25)35)21-13-32-22(14-31-21)33-19-6-4-16(2)30-12-19;1-14-2-4-17(10-28-14)31-20-12-29-19(11-30-20)16-3-5-18-15(8-16)6-7-23(22(18)34,9-21(32)33)13-24(25,26)27;1-7-2-3-8(4-12-7)15-10-6-13-9(11)5-14-10;1-5-2-3-6(7)4-8-5;1-2/h4-7,10,12-14H,3,8-9,11,15H2,1-2H3,(H,32,33);2-5,8,10-12H,6-7,9,13H2,1H3,(H,30,31)(H,32,33);2-6H,1H3,(H,14,15);2-4H,7H2,1H3;1-2H3.

What are the key properties of 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid?

5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid has a molecular weight of 1372.28 g/mol, XLogP of 15.43, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(6-methyl-3-pyridinyl)pyrazin-2-amine;ethane;ethyl 2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate;6-methylpyridin-3-amine;2-[6-[5-[(6-methyl-3-pyridinyl)amino]pyrazin-2-yl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid is sourced from PubChem (CID 160636250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).