1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine

C25H29N5O — CID 121375835

About 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine

1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 121375835) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
• PubChem CID: 121375835
• Molecular Formula: C25H29N5O
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.24
• IUPAC Name: 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
• SMILES: Cc1noc(C)c1-c1cnc2nc(NCC3CCCCC3)n(Cc3ccccc3)c2c1
• InChI: InChI=1S/C25H29N5O/c1-17-23(18(2)31-29-17)21-13-22-24(26-15-21)28-25(27-14-19-9-5-3-6-10-19)30(22)16-20-11-7-4-8-12-20/h4,7-8,11-13,15,19H,3,5-6,9-10,14,16H2,1-2H3,(H,26,27,28)
• InChIKey: XSOINWKNZPAFSP-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 68.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 121375835) is 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine is Cc1noc(C)c1-c1cnc2nc(NCC3CCCCC3)n(Cc3ccccc3)c2c1.

What is the InChIKey of 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

The InChIKey is XSOINWKNZPAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-17-23(18(2)31-29-17)21-13-22-24(26-15-21)28-25(27-14-19-9-5-3-6-10-19)30(22)16-20-11-7-4-8-12-20/h4,7-8,11-13,15,19H,3,5-6,9-10,14,16H2,1-2H3,(H,26,27,28).

What are the key properties of 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine?

1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 415.54 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 121375835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).