[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C98H81F4N27O4S2 — CID 158965579

About [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 158965579) has the molecular formula C98H81F4N27O4S2 and a molecular weight of 1841.04 g/mol. Its IUPAC name is [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 158965579
• Molecular Formula: C98H81F4N27O4S2
• Molecular Weight: 1841.04 g/mol
• Exact Mass: 1839.63
• IUPAC Name: [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.Cc1nn(C)cc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4cn5ccsc5n4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C26H20FN7O.C24H18FN7OS.C24H22FN7O.C24H21FN6OS/c27-18-7-5-17(6-8-18)24-25(34-12-10-16(15-35)13-23(34)33-24)21-9-11-28-26(32-21)29-14-22-30-19-3-1-2-4-20(19)31-22;25-17-3-1-16(2-4-17)21-22(32-8-6-15(14-33)11-20(32)30-21)19-5-7-26-23(29-19)27-12-18-13-31-9-10-34-24(31)28-18;1-15-18(13-31(2)30-15)12-27-24-26-9-7-20(28-24)23-22(17-3-5-19(25)6-4-17)29-21-11-16(14-33)8-10-32(21)23;1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h1-13,35H,14-15H2,(H,30,31)(H,28,29,32);1-11,13,33H,12,14H2,(H,26,27,29);3-11,13,33H,12,14H2,1-2H3,(H,26,27,28);3-11,13-14,32H,12H2,1-2H3,(H,26,27,29)
• InChIKey: JNDSNXWBFKWMNO-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 378.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1841.04
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 158965579) is [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.Cc1nn(C)cc1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.OCc1ccn2c(-c3ccnc(NCc4cn5ccsc5n4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is JNDSNXWBFKWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O.C24H18FN7OS.C24H22FN7O.C24H21FN6OS/c27-18-7-5-17(6-8-18)24-25(34-12-10-16(15-35)13-23(34)33-24)21-9-11-28-26(32-21)29-14-22-30-19-3-1-2-4-20(19)31-22;25-17-3-1-16(2-4-17)21-22(32-8-6-15(14-33)11-20(32)30-21)19-5-7-26-23(29-19)27-12-18-13-31-9-10-34-24(31)28-18;1-15-18(13-31(2)30-15)12-27-24-26-9-7-20(28-24)23-22(17-3-5-19(25)6-4-17)29-21-11-16(14-33)8-10-32(21)23;1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h1-13,35H,14-15H2,(H,30,31)(H,28,29,32);1-11,13,33H,12,14H2,(H,26,27,29);3-11,13,33H,12,14H2,1-2H3,(H,26,27,28);3-11,13-14,32H,12H2,1-2H3,(H,26,27,29).

What are the key properties of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1841.04 g/mol, XLogP of 17.76, 24 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 158965579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).