[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C71H77F3N18O5S — CID 157443001

About [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 157443001) has the molecular formula C71H77F3N18O5S and a molecular weight of 1351.58 g/mol. Its IUPAC name is [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 157443001
• Molecular Formula: C71H77F3N18O5S
• Molecular Weight: 1351.58 g/mol
• Exact Mass: 1350.60
• IUPAC Name: [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: Cc1ccc(-c2cn3c(C(=O)N4CCC(c5ncccn5)CC4)cnc3cc2CN)c(C)c1.Cc1ccc(-c2cn3c(C(=O)N4CCN(S(C)(=O)=O)CC4)cnc3cc2CN)c(C)c1.Cc1ccc(-c2cn3c(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)cnc3cc2CN)c(C)c1
• InChI: InChI=1S/C26H28N6O.C23H22F3N7O.C22H27N5O3S/c1-17-4-5-21(18(2)12-17)22-16-32-23(15-30-24(32)13-20(22)14-27)26(33)31-10-6-19(7-11-31)25-28-8-3-9-29-25;1-13-3-4-16(14(2)7-13)17-11-33-18(10-28-19(33)8-15(17)9-27)21(34)31-5-6-32-20(12-31)29-30-22(32)23(24,25)26;1-15-4-5-18(16(2)10-15)19-14-27-20(13-24-21(27)11-17(19)12-23)22(28)25-6-8-26(9-7-25)31(3,29)30/h3-5,8-9,12-13,15-16,19H,6-7,10-11,14,27H2,1-2H3;3-4,7-8,10-11H,5-6,9,12,27H2,1-2H3;4-5,10-11,13-14H,6-9,12,23H2,1-3H3
• InChIKey: BRWVNLJFNXERMU-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 284.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.58
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The IUPAC name of [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 157443001) is [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The canonical SMILES for [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ccc(-c2cn3c(C(=O)N4CCC(c5ncccn5)CC4)cnc3cc2CN)c(C)c1.Cc1ccc(-c2cn3c(C(=O)N4CCN(S(C)(=O)=O)CC4)cnc3cc2CN)c(C)c1.Cc1ccc(-c2cn3c(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)cnc3cc2CN)c(C)c1.

What is the InChIKey of [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The InChIKey is BRWVNLJFNXERMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C23H22F3N7O.C22H27N5O3S/c1-17-4-5-21(18(2)12-17)22-16-32-23(15-30-24(32)13-20(22)14-27)26(33)31-10-6-19(7-11-31)25-28-8-3-9-29-25;1-13-3-4-16(14(2)7-13)17-11-33-18(10-28-19(33)8-15(17)9-27)21(34)31-5-6-32-20(12-31)29-30-22(32)23(24,25)26;1-15-4-5-18(16(2)10-15)19-14-27-20(13-24-21(27)11-17(19)12-23)22(28)25-6-8-26(9-7-25)31(3,29)30/h3-5,8-9,12-13,15-16,19H,6-7,10-11,14,27H2,1-2H3;3-4,7-8,10-11H,5-6,9,12,27H2,1-2H3;4-5,10-11,13-14H,6-9,12,23H2,1-3H3.

What are the key properties of [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 1351.58 g/mol, XLogP of 9.02, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 157443001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).