[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C78H62F6N20O3S2 — CID 157098807

About [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 157098807) has the molecular formula C78H62F6N20O3S2 and a molecular weight of 1505.61 g/mol. Its IUPAC name is [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 157098807
• Molecular Formula: C78H62F6N20O3S2
• Molecular Weight: 1505.61 g/mol
• Exact Mass: 1504.47
• IUPAC Name: [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: Cc1n[nH]c(C)c1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.Cn1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)nc2cc(C(F)(F)F)ccc21.OCc1ccn2c(-c3ccnc(NCc4csc(-c5cccs5)n4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C28H21F4N7O.C26H19FN6OS2.C24H22FN7O/c1-38-22-7-4-18(28(30,31)32)13-21(22)35-24(38)14-34-27-33-10-8-20(36-27)26-25(17-2-5-19(29)6-3-17)37-23-12-16(15-40)9-11-39(23)26;27-18-5-3-17(4-6-18)23-24(33-10-8-16(14-34)12-22(33)32-23)20-7-9-28-26(31-20)29-13-19-15-36-25(30-19)21-2-1-11-35-21;1-14-19(15(2)31-30-14)12-27-24-26-9-7-20(28-24)23-22(17-3-5-18(25)6-4-17)29-21-11-16(13-33)8-10-32(21)23/h2-13,40H,14-15H2,1H3,(H,33,34,36);1-12,15,34H,13-14H2,(H,28,29,31);3-11,33H,12-13H2,1-2H3,(H,30,31)(H,26,27,28)
• InChIKey: AFNDQFXFDWCINI-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 285.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1505.61
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 157098807) is [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1n[nH]c(C)c1CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.Cn1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)nc2cc(C(F)(F)F)ccc21.OCc1ccn2c(-c3ccnc(NCc4csc(-c5cccs5)n4)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is AFNDQFXFDWCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4N7O.C26H19FN6OS2.C24H22FN7O/c1-38-22-7-4-18(28(30,31)32)13-21(22)35-24(38)14-34-27-33-10-8-20(36-27)26-25(17-2-5-19(29)6-3-17)37-23-12-16(15-40)9-11-39(23)26;27-18-5-3-17(4-6-18)23-24(33-10-8-16(14-34)12-22(33)32-23)20-7-9-28-26(31-20)29-13-19-15-36-25(30-19)21-2-1-11-35-21;1-14-19(15(2)31-30-14)12-27-24-26-9-7-20(28-24)23-22(17-3-5-18(25)6-4-17)29-21-11-16(13-33)8-10-32(21)23/h2-13,40H,14-15H2,1H3,(H,33,34,36);1-12,15,34H,13-14H2,(H,28,29,31);3-11,33H,12-13H2,1-2H3,(H,30,31)(H,26,27,28).

What are the key properties of [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1505.61 g/mol, XLogP of 15.54, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 157098807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).