8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine

C87H89Br6F8N15O13 — CID 165022343

About 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine

8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine (PubChem CID 165022343) has the molecular formula C87H89Br6F8N15O13 and a molecular weight of 2185.18 g/mol. Its IUPAC name is 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine
• PubChem CID: 165022343
• Molecular Formula: C87H89Br6F8N15O13
• Molecular Weight: 2185.18 g/mol
• Exact Mass: 2178.18
• IUPAC Name: 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine
• SMILES: CCNCc1nc(C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)OCC)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.COC(=O)c1nc(C)ccc1Br.Cc1ccc(Br)c(C(=O)O)n1.Cc1ccc(Br)c(CCCC(F)(F)F)n1.Cc1ccc(Br)c(CO)n1.NCC(F)(F)F.O=C=O.[2H]OC(=O)c1nc(C)ccc1Br
• InChI: InChI=1S/C27H29FN6O3.C18H17BrFN3O.C10H11BrF3N.C8H8BrNO2.2C7H6BrNO2.C7H8BrNO.C2H4F3N.CO2/c1-4-29-14-22-17(7-6-16(3)33-22)20-13-31-27(34-15-32-24(25(20)34)26(35)36-5-2)30-12-19-18-10-11-37-23(18)9-8-21(19)28;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-7-4-5-8(11)9(15-7)3-2-6-10(12,13)14;1-5-3-4-6(9)7(10-5)8(11)12-2;2*1-4-2-3-5(8)6(9-4)7(10)11;1-5-2-3-6(8)7(4-10)9-5;3-2(4,5)1-6;2-1-3/h6-9,13,15,29H,4-5,10-12,14H2,1-3H3,(H,30,31);4-5,9-10H,2-3,6-8H2,1H3;4-5H,2-3,6H2,1H3;3-4H,1-2H3;2*2-3H,1H3,(H,10,11);2-3,10H,4H2,1H3;1,6H2;/i/hD
• InChIKey: LIWJIHJTBSDWRR-DYCDLGHISA-N
• XLogP: 19.23
• TPSA: 387.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.18
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine?

The IUPAC name of 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine (CID 165022343) is 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine.

What is the SMILES notation for 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine?

The canonical SMILES for 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine is CCNCc1nc(C)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(C(=O)OCC)c12.CCc1ncn2c(CCc3c(F)ccc4c3CCO4)ncc(Br)c12.COC(=O)c1nc(C)ccc1Br.Cc1ccc(Br)c(C(=O)O)n1.Cc1ccc(Br)c(CCCC(F)(F)F)n1.Cc1ccc(Br)c(CO)n1.NCC(F)(F)F.O=C=O.[2H]OC(=O)c1nc(C)ccc1Br.

What is the InChIKey of 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine?

The InChIKey is LIWJIHJTBSDWRR-DYCDLGHISA-N. The full InChI is InChI=1S/C27H29FN6O3.C18H17BrFN3O.C10H11BrF3N.C8H8BrNO2.2C7H6BrNO2.C7H8BrNO.C2H4F3N.CO2/c1-4-29-14-22-17(7-6-16(3)33-22)20-13-31-27(34-15-32-24(25(20)34)26(35)36-5-2)30-12-19-18-10-11-37-23(18)9-8-21(19)28;1-2-15-18-13(19)9-21-17(23(18)10-22-15)6-3-11-12-7-8-24-16(12)5-4-14(11)20;1-7-4-5-8(11)9(15-7)3-2-6-10(12,13)14;1-5-3-4-6(9)7(10-5)8(11)12-2;2*1-4-2-3-5(8)6(9-4)7(10)11;1-5-2-3-6(8)7(4-10)9-5;3-2(4,5)1-6;2-1-3/h6-9,13,15,29H,4-5,10-12,14H2,1-3H3,(H,30,31);4-5,9-10H,2-3,6-8H2,1H3;4-5H,2-3,6H2,1H3;3-4H,1-2H3;2*2-3H,1H3,(H,10,11);2-3,10H,4H2,1H3;1,6H2;/i/hD.

What are the key properties of 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine?

8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine has a molecular weight of 2185.18 g/mol, XLogP of 19.23, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-1-ethyl-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]imidazo[1,5-c]pyrimidine;3-bromo-6-methylpyridine-2-carboxylic acid;(3-bromo-6-methyl-2-pyridinyl)methanol;3-bromo-6-methyl-2-(4,4,4-trifluorobutyl)pyridine;carbon dioxide;deuterio 3-bromo-6-methylpyridine-2-carboxylate;ethyl 8-[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidine-1-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;2,2,2-trifluoroethanamine is sourced from PubChem (CID 165022343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).