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

C138H127F8N27O3 — CID 157122600

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

N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 157122600) has the molecular formula C138H127F8N27O3 and a molecular weight of 2363.70 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
• PubChem CID: 157122600
• Molecular Formula: C138H127F8N27O3
• Molecular Weight: 2363.70 g/mol
• Exact Mass: 2362.05
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
• SMILES: CCc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(C)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(C)cc4C)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C31H29F4N7O.C28H26FN5.C27H22FN5O2.C27H24FN5.C25H26FN5/c1-40(2)27(43)19-41(3)18-21-12-14-42-26(16-21)39-28(22-7-9-24(32)10-8-22)29(42)25-11-13-36-30(38-25)37-17-20-5-4-6-23(15-20)31(33,34)35;1-4-20-12-14-34-25(16-20)33-26(21-7-9-23(29)10-8-21)27(34)24-11-13-30-28(32-24)31-17-22-6-5-18(2)15-19(22)3;1-2-17-10-12-33-24(14-17)32-25(19-4-6-20(28)7-5-19)26(33)21-9-11-29-27(31-21)30-15-18-3-8-22-23(13-18)35-16-34-22;1-3-19-13-15-33-24(16-19)32-25(21-8-10-22(28)11-9-21)26(33)23-12-14-29-27(31-23)30-17-20-6-4-18(2)5-7-20;1-2-17-13-15-31-22(16-17)30-23(18-8-10-19(26)11-9-18)24(31)21-12-14-27-25(29-21)28-20-6-4-3-5-7-20/h4-16H,17-19H2,1-3H3,(H,36,37,38);5-16H,4,17H2,1-3H3,(H,30,31,32);3-14H,2,15-16H2,1H3,(H,29,30,31);4-16H,3,17H2,1-2H3,(H,29,30,31);8-16,20H,2-7H2,1H3,(H,27,28,29)
• InChIKey: AIDMYWXMBPMSEJ-UHFFFAOYSA-N
• XLogP: 29.62
• TPSA: 317.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.70
LogP ≤ 5	29.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide (CID 157122600) is N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide.

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

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide is CCc1ccn2c(-c3ccnc(NC4CCCCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(C)cc4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc(C)cc4C)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nc2c1.

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

The InChIKey is AIDMYWXMBPMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F4N7O.C28H26FN5.C27H22FN5O2.C27H24FN5.C25H26FN5/c1-40(2)27(43)19-41(3)18-21-12-14-42-26(16-21)39-28(22-7-9-24(32)10-8-22)29(42)25-11-13-36-30(38-25)37-17-20-5-4-6-23(15-20)31(33,34)35;1-4-20-12-14-34-25(16-20)33-26(21-7-9-23(29)10-8-21)27(34)24-11-13-30-28(32-24)31-17-22-6-5-18(2)15-19(22)3;1-2-17-10-12-33-24(14-17)32-25(19-4-6-20(28)7-5-19)26(33)21-9-11-29-27(31-21)30-15-18-3-8-22-23(13-18)35-16-34-22;1-3-19-13-15-33-24(16-19)32-25(21-8-10-22(28)11-9-21)26(33)23-12-14-29-27(31-23)30-17-20-6-4-18(2)5-7-20;1-2-17-13-15-31-22(16-17)30-23(18-8-10-19(26)11-9-18)24(31)21-12-14-27-25(29-21)28-20-6-4-3-5-7-20/h4-16H,17-19H2,1-3H3,(H,36,37,38);5-16H,4,17H2,1-3H3,(H,30,31,32);3-14H,2,15-16H2,1H3,(H,29,30,31);4-16H,3,17H2,1-2H3,(H,29,30,31);8-16,20H,2-7H2,1H3,(H,27,28,29).

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

N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 2363.70 g/mol, XLogP of 29.62, 32 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 157122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).