[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide

C134H119F8N27O7 — CID 161313890

About [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide

[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 161313890) has the molecular formula C134H119F8N27O7 and a molecular weight of 2371.59 g/mol. Its IUPAC name is [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
• PubChem CID: 161313890
• Molecular Formula: C134H119F8N27O7
• Molecular Weight: 2371.59 g/mol
• Exact Mass: 2369.97
• IUPAC Name: [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
• SMILES: CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(C)c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cc1.OCc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C31H29F4N7O.C27H24FN5O.C26H20FN5O3.C26H22FN5O.C24H24FN5O/c1-40(2)27(43)19-41(3)18-21-13-15-42-26(16-21)39-28(22-6-10-24(32)11-7-22)29(42)25-12-14-36-30(38-25)37-17-20-4-8-23(9-5-20)31(33,34)35;1-17-3-4-21(18(2)13-17)15-30-27-29-11-9-23(31-27)26-25(20-5-7-22(28)8-6-20)32-24-14-19(16-34)10-12-33(24)26;27-19-4-2-18(3-5-19)24-25(32-10-8-17(14-33)12-23(32)31-24)20-7-9-28-26(30-20)29-13-16-1-6-21-22(11-16)35-15-34-21;1-17-2-4-18(5-3-17)15-29-26-28-12-10-22(30-26)25-24(20-6-8-21(27)9-7-20)31-23-14-19(16-33)11-13-32(23)25;25-18-8-6-17(7-9-18)22-23(30-13-11-16(15-31)14-21(30)29-22)20-10-12-26-24(28-20)27-19-4-2-1-3-5-19/h4-16H,17-19H2,1-3H3,(H,36,37,38);3-14,34H,15-16H2,1-2H3,(H,29,30,31);1-12,33H,13-15H2,(H,28,29,30);2-14,33H,15-16H2,1H3,(H,28,29,30);6-14,19,31H,1-5,15H2,(H,26,27,28)
• InChIKey: VJGARWHOAAOIKJ-UHFFFAOYSA-N
• XLogP: 25.34
• TPSA: 398.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.59
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide?

The IUPAC name of [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide (CID 161313890) is [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide.

What is the SMILES notation for [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide?

The canonical SMILES for [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4ccc(C(F)(F)F)cc4)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c(C)c1.Cc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cc1.OCc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide?

The InChIKey is VJGARWHOAAOIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N7O.C27H24FN5O.C26H20FN5O3.C26H22FN5O.C24H24FN5O/c1-40(2)27(43)19-41(3)18-21-13-15-42-26(16-21)39-28(22-6-10-24(32)11-7-22)29(42)25-12-14-36-30(38-25)37-17-20-4-8-23(9-5-20)31(33,34)35;1-17-3-4-21(18(2)13-17)15-30-27-29-11-9-23(31-27)26-25(20-5-7-22(28)8-6-20)32-24-14-19(16-34)10-12-33(24)26;27-19-4-2-18(3-5-19)24-25(32-10-8-17(14-33)12-23(32)31-24)20-7-9-28-26(30-20)29-13-16-1-6-21-22(11-16)35-15-34-21;1-17-2-4-18(5-3-17)15-29-26-28-12-10-22(30-26)25-24(20-6-8-21(27)9-7-20)31-23-14-19(16-33)11-13-32(23)25;25-18-8-6-17(7-9-18)22-23(30-13-11-16(15-31)14-21(30)29-22)20-10-12-26-24(28-20)27-19-4-2-1-3-5-19/h4-16H,17-19H2,1-3H3,(H,36,37,38);3-14,34H,15-16H2,1-2H3,(H,29,30,31);1-12,33H,13-15H2,(H,28,29,30);2-14,33H,15-16H2,1H3,(H,28,29,30);6-14,19,31H,1-5,15H2,(H,26,27,28).

What are the key properties of [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide?

[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 2371.59 g/mol, XLogP of 25.34, 32 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 161313890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).