N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine

C56H62N8O3 — CID 157176426

About N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 157176426) has the molecular formula C56H62N8O3 and a molecular weight of 895.16 g/mol. Its IUPAC name is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 157176426
• Molecular Formula: C56H62N8O3
• Molecular Weight: 895.16 g/mol
• Exact Mass: 894.49
• IUPAC Name: N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine
• SMILES: COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1.Cc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2N[C@H](C)c2ccccc2)cc1
• InChI: InChI=1S/C29H30N4O.C27H32N4O2/c1-19-10-12-23(13-11-19)14-15-26-29(30-20(2)24-8-6-5-7-9-24)33-17-16-25(18-27(33)31-26)28-21(3)32-34-22(28)4;1-18-26(19(2)33-30-18)21-15-16-31-25(17-21)29-24(27(31)28-22-7-5-4-6-8-22)14-11-20-9-12-23(32-3)13-10-20/h5-13,16-18,20,30H,14-15H2,1-4H3;9-10,12-13,15-17,22,28H,4-8,11,14H2,1-3H3/t20-;/m1./s1
• InChIKey: AOBCOUAKIPWOPA-VEIFNGETSA-N
• XLogP: 13.02
• TPSA: 119.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	895.16
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine (CID 157176426) is N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1.Cc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccn3c2N[C@H](C)c2ccccc2)cc1.

What is the InChIKey of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?

The InChIKey is AOBCOUAKIPWOPA-VEIFNGETSA-N. The full InChI is InChI=1S/C29H30N4O.C27H32N4O2/c1-19-10-12-23(13-11-19)14-15-26-29(30-20(2)24-8-6-5-7-9-24)33-17-16-25(18-27(33)31-26)28-21(3)32-34-22(28)4;1-18-26(19(2)33-30-18)21-15-16-31-25(17-21)29-24(27(31)28-22-7-5-4-6-8-22)14-11-20-9-12-23(32-3)13-10-20/h5-13,16-18,20,30H,14-15H2,1-4H3;9-10,12-13,15-17,22,28H,4-8,11,14H2,1-3H3/t20-;/m1./s1.

What are the key properties of N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine?

N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 895.16 g/mol, XLogP of 13.02, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methylphenyl)ethyl]-N-[(1R)-1-phenylethyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 157176426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).