N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

C₈₁H₆₈ClF₆N₁₅O₃ — CID 158063711

About N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (PubChem CID 158063711) has the molecular formula C₈₁H₆₈ClF₆N₁₅O₃ and a molecular weight of 1448.98 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
• PubChem CID: 158063711
• Molecular Formula: C₈₁H₆₈ClF₆N₁₅O₃
• Molecular Weight: 1448.98 g/mol
• Exact Mass: 1447.52
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
• SMILES: CCc1ccn2c(-c3ccnc(NCc4ccc(OC)c(OC)c4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccccc4OC(F)(F)F)n3)c(-c3ccc(F)cc3)nc2c1
• InChI: InChI=1S/C28H26FN5O2.C27H21F4N5O.C26H21ClFN5/c1-4-18-12-14-34-25(16-18)33-26(20-6-8-21(29)9-7-20)27(34)22-11-13-30-28(32-22)31-17-19-5-10-23(35-2)24(15-19)36-3;1-2-17-12-14-36-23(15-17)35-24(18-7-9-20(28)10-8-18)25(36)21-11-13-32-26(34-21)33-16-19-5-3-4-6-22(19)37-27(29,30)31;1-2-17-12-14-33-23(15-17)32-24(18-7-9-20(28)10-8-18)25(33)22-11-13-29-26(31-22)30-16-19-5-3-4-6-21(19)27/h5-16H,4,17H2,1-3H3,(H,30,31,32);3-15H,2,16H2,1H3,(H,32,33,34);3-15H,2,16H2,1H3,(H,29,30,31)
• InChIKey: FKYSMDSCGWNRQP-UHFFFAOYSA-N
• XLogP: 18.88
• TPSA: 193.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1448.98
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (CID 158063711) is N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is CCc1ccn2c(-c3ccnc(NCc4ccc(OC)c(OC)c4)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccccc4Cl)n3)c(-c3ccc(F)cc3)nc2c1.CCc1ccn2c(-c3ccnc(NCc4ccccc4OC(F)(F)F)n3)c(-c3ccc(F)cc3)nc2c1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?

The InChIKey is FKYSMDSCGWNRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O2.C27H21F4N5O.C26H21ClFN5/c1-4-18-12-14-34-25(16-18)33-26(20-6-8-21(29)9-7-20)27(34)22-11-13-30-28(32-22)31-17-19-5-10-23(35-2)24(15-19)36-3;1-2-17-12-14-36-23(15-17)35-24(18-7-9-20(28)10-8-18)25(36)21-11-13-32-26(34-21)33-16-19-5-3-4-6-22(19)37-27(29,30)31;1-2-17-12-14-33-23(15-17)32-24(18-7-9-20(28)10-8-18)25(33)22-11-13-29-26(31-22)30-16-19-5-3-4-6-21(19)27/h5-16H,4,17H2,1-3H3,(H,30,31,32);3-15H,2,16H2,1H3,(H,32,33,34);3-15H,2,16H2,1H3,(H,29,30,31).

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?

N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 1448.98 g/mol, XLogP of 18.88, 21 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(3,4-dimethoxyphenyl)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-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 158063711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158063711 — identifiers, structure, computed properties (public domain)

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