4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C99H83F4N27O4S — CID 158585286

About 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 158585286) has the molecular formula C99H83F4N27O4S and a molecular weight of 1823.00 g/mol. Its IUPAC name is 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 158585286
• Molecular Formula: C99H83F4N27O4S
• Molecular Weight: 1823.00 g/mol
• Exact Mass: 1821.68
• IUPAC Name: 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: CN(Cc1n[nH]c(=O)[nH]1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)Cc4ccccc4)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4cccc(-c5cnc[nH]5)c4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4cncs4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C28H22FN7O.C27H25FN6.C22H19FN8O2.C22H17FN6OS/c29-22-6-4-20(5-7-22)26-27(36-11-9-19(16-37)13-25(36)35-26)23-8-10-31-28(34-23)32-14-18-2-1-3-21(12-18)24-15-30-17-33-24;1-29-27-30-14-12-23(31-27)26-25(21-8-10-22(28)11-9-21)32-24-16-20(13-15-34(24)26)18-33(2)17-19-6-4-3-5-7-19;1-30(11-17-26-22(33)29-28-17)21-24-8-6-16(25-21)20-19(14-2-4-15(23)5-3-14)27-18-10-13(12-32)7-9-31(18)20;23-16-3-1-15(2-4-16)20-21(29-8-6-14(12-30)9-19(29)28-20)18-5-7-25-22(27-18)26-11-17-10-24-13-31-17/h1-13,15,17,37H,14,16H2,(H,30,33)(H,31,32,34);3-16H,17-18H2,1-2H3,(H,29,30,31);2-10,32H,11-12H2,1H3,(H2,26,28,29,33);1-10,13,30H,11-12H2,(H,25,26,27)
• InChIKey: HTTFESMWJLLOEB-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 378.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.00
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 158585286) is 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CN(Cc1n[nH]c(=O)[nH]1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)Cc4ccccc4)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4cccc(-c5cnc[nH]5)c4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4cncs4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is HTTFESMWJLLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7O.C27H25FN6.C22H19FN8O2.C22H17FN6OS/c29-22-6-4-20(5-7-22)26-27(36-11-9-19(16-37)13-25(36)35-26)23-8-10-31-28(34-23)32-14-18-2-1-3-21(12-18)24-15-30-17-33-24;1-29-27-30-14-12-23(31-27)26-25(21-8-10-22(28)11-9-21)32-24-16-20(13-15-34(24)26)18-33(2)17-19-6-4-3-5-7-19;1-30(11-17-26-22(33)29-28-17)21-24-8-6-16(25-21)20-19(14-2-4-15(23)5-3-14)27-18-10-13(12-32)7-9-31(18)20;23-16-3-1-15(2-4-16)20-21(29-8-6-14(12-30)9-19(29)28-20)18-5-7-25-22(27-18)26-11-17-10-24-13-31-17/h1-13,15,17,37H,14,16H2,(H,30,33)(H,31,32,34);3-16H,17-18H2,1-2H3,(H,29,30,31);2-10,32H,11-12H2,1H3,(H2,26,28,29,33);1-10,13,30H,11-12H2,(H,25,26,27).

What are the key properties of 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1823.00 g/mol, XLogP of 16.66, 26 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 158585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).