3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine

C27H25N5O3 — CID 118009817

About 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine (PubChem CID 118009817) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 118009817
• Molecular Formula: C27H25N5O3
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.20
• IUPAC Name: 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
• SMILES: COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1
• InChI: InChI=1S/C27H25N5O3/c1-33-24-12-18(8-10-23(24)35-17-19-9-11-25(34-2)29-14-19)16-32-26-22(31-27(32)28)13-21(15-30-26)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H2,28,31)
• InChIKey: BVOWDAQJDDEQSR-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine (CID 118009817) is 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5ccccc5)cnc43)cc2OC)cn1.

What is the InChIKey of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?

The InChIKey is BVOWDAQJDDEQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-33-24-12-18(8-10-23(24)35-17-19-9-11-25(34-2)29-14-19)16-32-26-22(31-27(32)28)13-21(15-30-26)20-6-4-3-5-7-20/h3-15H,16-17H2,1-2H3,(H2,28,31).

What are the key properties of 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine?

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 467.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 118009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).