bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

C106H99Br3F12N20O9 — CID 158473457

About bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (PubChem CID 158473457) has the molecular formula C106H99Br3F12N20O9 and a molecular weight of 2264.78 g/mol. Its IUPAC name is bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
• PubChem CID: 158473457
• Molecular Formula: C106H99Br3F12N20O9
• Molecular Weight: 2264.78 g/mol
• Exact Mass: 2260.53
• IUPAC Name: bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
• SMILES: CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c4nccn4c3)c2)cc1C(F)(F)F.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1
• InChI: InChI=1S/C28H28F3N5O2.2C26H23BrF3N5O2.C17H19N5O.C9H6BrF3O2/c1-3-4-19-5-6-20(13-24(19)28(29,30)31)27(37)34-22-15-23(18(2)33-16-22)21-14-25(35-9-11-38-12-10-35)26-32-7-8-36(26)17-21;2*1-16-21(19-11-23(34-6-8-37-9-7-34)24-31-4-5-35(24)15-19)12-20(14-32-16)33-25(36)17-2-3-18(13-27)22(10-17)26(28,29)30;1-12-15(9-14(18)10-20-12)13-8-16(21-4-6-23-7-5-21)17-19-2-3-22(17)11-13;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-8,13-17H,3-4,9-12H2,1-2H3,(H,34,37);2*2-5,10-12,14-15H,6-9,13H2,1H3,(H,33,36);2-3,8-11H,4-7,18H2,1H3;1-3H,4H2,(H,14,15)
• InChIKey: HGQDDXINJDIJTE-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 321.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2264.78
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The IUPAC name of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (CID 158473457) is bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The canonical SMILES for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c4nccn4c3)c2)cc1C(F)(F)F.Cc1ncc(N)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.Cc1ncc(NC(=O)c2ccc(CBr)c(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2c1.O=C(O)c1ccc(CBr)c(C(F)(F)F)c1.

What is the InChIKey of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

The InChIKey is HGQDDXINJDIJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O2.2C26H23BrF3N5O2.C17H19N5O.C9H6BrF3O2/c1-3-4-19-5-6-20(13-24(19)28(29,30)31)27(37)34-22-15-23(18(2)33-16-22)21-14-25(35-9-11-38-12-10-35)26-32-7-8-36(26)17-21;2*1-16-21(19-11-23(34-6-8-37-9-7-34)24-31-4-5-35(24)15-19)12-20(14-32-16)33-25(36)17-2-3-18(13-27)22(10-17)26(28,29)30;1-12-15(9-14(18)10-20-12)13-8-16(21-4-6-23-7-5-21)17-19-2-3-22(17)11-13;10-4-6-2-1-5(8(14)15)3-7(6)9(11,12)13/h5-8,13-17H,3-4,9-12H2,1-2H3,(H,34,37);2*2-5,10-12,14-15H,6-9,13H2,1H3,(H,33,36);2-3,8-11H,4-7,18H2,1H3;1-3H,4H2,(H,14,15).

What are the key properties of bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 2264.78 g/mol, XLogP of 22.60, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158473457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).