3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C109H90F9N15O5 — CID 163865210

About 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 163865210) has the molecular formula C109H90F9N15O5 and a molecular weight of 1861.00 g/mol. Its IUPAC name is 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 163865210
• Molecular Formula: C109H90F9N15O5
• Molecular Weight: 1861.00 g/mol
• Exact Mass: 1859.71
• IUPAC Name: 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: CCCC(CC)CCCOc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C.Cc1ccc(C(=O)Cc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(C)cccn12.Cc1ccc(C(=O)Cc2ccc(C#N)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(N=C(N)N)cccn12
• InChI: InChI=1S/C34H38N2O2.C26H16F3N3O.C25H18F3N3O.C24H18F3N7O/c1-5-10-27(6-2)11-9-20-38-33-18-14-28(21-26(33)4)22-32(37)30-15-13-25(3)29(23-30)16-17-31-24-35-34-12-7-8-19-36(31)34;1-17-5-7-20(14-19(17)9-10-22-16-31-25-4-2-3-11-32(22)25)24(33)13-18-6-8-21(15-30)23(12-18)26(27,28)29;1-16-5-6-19(23(32)14-21-13-20(9-10-29-21)25(26,27)28)12-18(16)7-8-22-15-30-24-17(2)4-3-11-31(22)24;1-14-4-5-16(22(35)33-20-12-17(8-9-30-20)24(25,26)27)11-15(14)6-7-18-13-31-21-19(32-23(28)29)3-2-10-34(18)21/h7-8,12-15,18-19,21,23-24,27H,5-6,9-11,20,22H2,1-4H3;2-8,11-12,14,16H,13H2,1H3;3-6,9-13,15H,14H2,1-2H3;2-5,8-13H,1H3,(H4,28,29,32)(H,30,33,35)
• InChIKey: PGARWIXTWRZIRJ-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 272.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.00
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 163865210) is 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The canonical SMILES for 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is CCCC(CC)CCCOc1ccc(CC(=O)c2ccc(C)c(C#Cc3cnc4ccccn34)c2)cc1C.Cc1ccc(C(=O)Cc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(C)cccn12.Cc1ccc(C(=O)Cc2ccc(C#N)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccccn12.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1C#Cc1cnc2c(N=C(N)N)cccn12.

What is the InChIKey of 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The InChIKey is PGARWIXTWRZIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2.C26H16F3N3O.C25H18F3N3O.C24H18F3N7O/c1-5-10-27(6-2)11-9-20-38-33-18-14-28(21-26(33)4)22-32(37)30-15-13-25(3)29(23-30)16-17-31-24-35-34-12-7-8-19-36(31)34;1-17-5-7-20(14-19(17)9-10-22-16-31-25-4-2-3-11-32(22)25)24(33)13-18-6-8-21(15-30)23(12-18)26(27,28)29;1-16-5-6-19(23(32)14-21-13-20(9-10-29-21)25(26,27)28)12-18(16)7-8-22-15-30-24-17(2)4-3-11-31(22)24;1-14-4-5-16(22(35)33-20-12-17(8-9-30-20)24(25,26)27)11-15(14)6-7-18-13-31-21-19(32-23(28)29)3-2-10-34(18)21/h7-8,12-15,18-19,21,23-24,27H,5-6,9-11,20,22H2,1-4H3;2-8,11-12,14,16H,13H2,1H3;3-6,9-13,15H,14H2,1-2H3;2-5,8-13H,1H3,(H4,28,29,32)(H,30,33,35).

What are the key properties of 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1861.00 g/mol, XLogP of 21.92, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[8-(diaminomethylideneamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[4-(4-ethylheptoxy)-3-methylphenyl]-1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]ethanone;4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)benzonitrile;1-[4-methyl-3-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethynyl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 163865210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).