2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine

C26H34N4O — CID 110311784

About 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine

2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine (PubChem CID 110311784) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine.

Molecular Properties

• Compound Name: 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
• PubChem CID: 110311784
• Molecular Formula: C26H34N4O
• Molecular Weight: 418.59 g/mol
• Exact Mass: 418.27
• IUPAC Name: 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
• SMILES: COc1ccc(-c2nc3ccc(N)cn3c2CN2CC3(C)CC2CC(C)(C)C3)cc1C
• InChI: InChI=1S/C26H34N4O/c1-17-10-18(6-8-22(17)31-5)24-21(30-13-19(27)7-9-23(30)28-24)14-29-16-26(4)12-20(29)11-25(2,3)15-26/h6-10,13,20H,11-12,14-16,27H2,1-5H3
• InChIKey: NRVHWVPMZPYPNF-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 55.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.59
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine?

The IUPAC name of 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine (CID 110311784) is 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine.

What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine?

The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine is COc1ccc(-c2nc3ccc(N)cn3c2CN2CC3(C)CC2CC(C)(C)C3)cc1C.

What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine?

The InChIKey is NRVHWVPMZPYPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-17-10-18(6-8-22(17)31-5)24-21(30-13-19(27)7-9-23(30)28-24)14-29-16-26(4)12-20(29)11-25(2,3)15-26/h6-10,13,20H,11-12,14-16,27H2,1-5H3.

What are the key properties of 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine?

2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine has a molecular weight of 418.59 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 110311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).