2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C143H143F5N30O8S — CID 159640825

About 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 159640825) has the molecular formula C143H143F5N30O8S and a molecular weight of 2536.98 g/mol. Its IUPAC name is 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 159640825
• Molecular Formula: C143H143F5N30O8S
• Molecular Weight: 2536.98 g/mol
• Exact Mass: 2535.13
• IUPAC Name: 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccc(S(C)(=O)=O)cc1.CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.CCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)CC(=O)N(C)C)ccn34)n2)c1.CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc([C@H](C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cc1
• InChI: InChI=1S/C32H34FN7O.C31H30FN7O3.C27H24FN5O3S.C27H24FN5O.C26H31FN6/c1-5-22-7-6-8-23(17-22)19-35-32-34-15-13-27(36-32)31-30(25-9-11-26(33)12-10-25)37-28-18-24(14-16-40(28)31)20-39(4)21-29(41)38(2)3;1-37(2)28(40)18-38(3)17-21-11-13-39-27(15-21)36-29(22-5-7-23(32)8-6-22)30(39)24-10-12-33-31(35-24)34-16-20-4-9-25-26(14-20)42-19-41-25;1-17(19-5-9-22(10-6-19)37(2,35)36)30-27-29-13-11-23(31-27)26-25(20-3-7-21(28)8-4-20)32-24-15-18(16-34)12-14-33(24)26;1-17-3-5-20(6-4-17)18(2)30-27-29-13-11-23(31-27)26-25(21-7-9-22(28)10-8-21)32-24-15-19(16-34)12-14-33(24)26;1-4-5-6-7-14-28-26-29-15-12-22(30-26)25-24(20-8-10-21(27)11-9-20)31-23-17-19(18-32(2)3)13-16-33(23)25/h6-18H,5,19-21H2,1-4H3,(H,34,35,36);4-15H,16-19H2,1-3H3,(H,33,34,35);3-15,17,34H,16H2,1-2H3,(H,29,30,31);3-15,18,34H,16H2,1-2H3,(H,29,30,31);8-13,15-17H,4-7,14,18H2,1-3H3,(H,28,29,30)/t;;;18-;/m...0./s1
• InChIKey: MQIJHGYXGFIZOG-UKMBNQFUSA-N
• XLogP: 25.64
• TPSA: 418.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.98
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 159640825) is 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccc(S(C)(=O)=O)cc1.CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.CCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)CC(=O)N(C)C)ccn34)n2)c1.CN(CC(=O)N(C)C)Cc1ccn2c(-c3ccnc(NCc4ccc5c(c4)OCO5)n3)c(-c3ccc(F)cc3)nc2c1.Cc1ccc([C@H](C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cc1.

What is the InChIKey of 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is MQIJHGYXGFIZOG-UKMBNQFUSA-N. The full InChI is InChI=1S/C32H34FN7O.C31H30FN7O3.C27H24FN5O3S.C27H24FN5O.C26H31FN6/c1-5-22-7-6-8-23(17-22)19-35-32-34-15-13-27(36-32)31-30(25-9-11-26(33)12-10-25)37-28-18-24(14-16-40(28)31)20-39(4)21-29(41)38(2)3;1-37(2)28(40)18-38(3)17-21-11-13-39-27(15-21)36-29(22-5-7-23(32)8-6-22)30(39)24-10-12-33-31(35-24)34-16-20-4-9-25-26(14-20)42-19-41-25;1-17(19-5-9-22(10-6-19)37(2,35)36)30-27-29-13-11-23(31-27)26-25(20-3-7-21(28)8-4-20)32-24-15-18(16-34)12-14-33(24)26;1-17-3-5-20(6-4-17)18(2)30-27-29-13-11-23(31-27)26-25(21-7-9-22(28)10-8-21)32-24-15-19(16-34)12-14-33(24)26;1-4-5-6-7-14-28-26-29-15-12-22(30-26)25-24(20-8-10-21(27)11-9-20)31-23-17-19(18-32(2)3)13-16-33(23)25/h6-18H,5,19-21H2,1-4H3,(H,34,35,36);4-15H,16-19H2,1-3H3,(H,33,34,35);3-15,17,34H,16H2,1-2H3,(H,29,30,31);3-15,18,34H,16H2,1-2H3,(H,29,30,31);8-13,15-17H,4-7,14,18H2,1-3H3,(H,28,29,30)/t;;;18-;/m...0./s1.

What are the key properties of 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 2536.98 g/mol, XLogP of 25.64, 42 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine;2-[[3-[2-[(3-ethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide;[2-(4-fluorophenyl)-3-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(4-methylsulfonylphenyl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 159640825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).