[3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C96H78F4N26O4S2 — CID 158775193

About [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 158775193) has the molecular formula C96H78F4N26O4S2 and a molecular weight of 1799.98 g/mol. Its IUPAC name is [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 158775193
• Molecular Formula: C96H78F4N26O4S2
• Molecular Weight: 1799.98 g/mol
• Exact Mass: 1798.61
• IUPAC Name: [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1cscn1.CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ncn[nH]1.Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5s4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C26H19FN6OS.C25H21FN6O.C23H19FN6OS.C22H19FN8O/c27-18-7-5-17(6-8-18)24-25(33-12-10-16(15-34)13-22(33)32-24)20-9-11-28-26(31-20)29-14-23-30-19-3-1-2-4-21(19)35-23;1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24;1-14(19-12-32-13-26-19)27-23-25-8-6-18(28-23)22-21(16-2-4-17(24)5-3-16)29-20-10-15(11-31)7-9-30(20)22;1-13(21-25-12-26-30-21)27-22-24-8-6-17(28-22)20-19(15-2-4-16(23)5-3-15)29-18-10-14(11-32)7-9-31(18)20/h1-13,34H,14-15H2,(H,28,29,31);2-13,33H,14-15H2,1H3,(H,27,28,30);2-10,12-14,31H,11H2,1H3,(H,25,27,28);2-10,12-13,32H,11H2,1H3,(H,24,27,28)(H,25,26,30)
• InChIKey: IQJRFNXTELHFNZ-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 381.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1799.98
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 158775193) is [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1cscn1.CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ncn[nH]1.Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5s4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is IQJRFNXTELHFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6OS.C25H21FN6O.C23H19FN6OS.C22H19FN8O/c27-18-7-5-17(6-8-18)24-25(33-12-10-16(15-34)13-22(33)32-24)20-9-11-28-26(31-20)29-14-23-30-19-3-1-2-4-21(19)35-23;1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24;1-14(19-12-32-13-26-19)27-23-25-8-6-18(28-23)22-21(16-2-4-17(24)5-3-16)29-20-10-15(11-31)7-9-30(20)22;1-13(21-25-12-26-30-21)27-22-24-8-6-17(28-22)20-19(15-2-4-16(23)5-3-15)29-18-10-14(11-32)7-9-31(18)20/h1-13,34H,14-15H2,(H,28,29,31);2-13,33H,14-15H2,1H3,(H,27,28,30);2-10,12-14,31H,11H2,1H3,(H,25,27,28);2-10,12-13,32H,11H2,1H3,(H,24,27,28)(H,25,26,30).

What are the key properties of [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

[3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1799.98 g/mol, XLogP of 17.82, 24 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 158775193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).