N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C₁₀₄H₉₃F₇N₂₂O₂ — CID 158846659

About N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 158846659) has the molecular formula C₁₀₄H₉₃F₇N₂₂O₂ and a molecular weight of 1816.03 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
• PubChem CID: 158846659
• Molecular Formula: C₁₀₄H₉₃F₇N₂₂O₂
• Molecular Weight: 1816.03 g/mol
• Exact Mass: 1814.77
• IUPAC Name: N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
• SMILES: CCc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1
• InChI: InChI=1S/C28H27FN6O.C27H24F2N6.C26H20F3N5.C23H22FN5O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(28)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)29;1-2-16-10-12-34-23(13-16)33-24(17-3-5-19(27)6-4-17)25(34)22-9-11-30-26(32-22)31-15-18-14-20(28)7-8-21(18)29;1-2-16-8-10-29-20(15-16)27-21(17-3-5-18(24)6-4-17)22(29)19-7-9-25-23(26-19)28-11-13-30-14-12-28/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);3-14H,2,15H2,1H3,(H,30,31,32);3-10,15H,2,11-14H2,1H3
• InChIKey: IYXNBHBJLYELFS-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 236.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.03
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 158846659) is N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CCc1ccn2c(-c3ccnc(N4CCOCC4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1.CN(C)Cc1ccn2c(-c3ccnc(NCc4ccccc4F)n3)c(-c3ccc(F)cc3)nc2c1.COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.

What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

The InChIKey is IYXNBHBJLYELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O.C27H24F2N6.C26H20F3N5.C23H22FN5O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3;1-34(2)17-18-12-14-35-24(15-18)33-25(19-7-9-21(28)10-8-19)26(35)23-11-13-30-27(32-23)31-16-20-5-3-4-6-22(20)29;1-2-16-10-12-34-23(13-16)33-24(17-3-5-19(27)6-4-17)25(34)22-9-11-30-26(32-22)31-15-18-14-20(28)7-8-21(18)29;1-2-16-8-10-29-20(15-16)27-21(17-3-5-18(24)6-4-17)22(29)19-7-9-25-23(26-19)28-11-13-30-14-12-28/h4-16H,17-18H2,1-3H3,(H,30,31,32);3-15H,16-17H2,1-2H3,(H,30,31,32);3-14H,2,15H2,1H3,(H,30,31,32);3-10,15H,2,11-14H2,1H3.

What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?

N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1816.03 g/mol, XLogP of 20.74, 25 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-difluorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine;4-[4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 158846659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158846659 — identifiers, structure, computed properties (public domain)

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