5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine

C34H26FN5 — CID 145308603

About 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine

5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine (PubChem CID 145308603) has the molecular formula C34H26FN5 and a molecular weight of 523.62 g/mol. Its IUPAC name is 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine
• PubChem CID: 145308603
• Molecular Formula: C34H26FN5
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.22
• IUPAC Name: 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine
• SMILES: C=C(Nc1cncc(-c2ccc(C)c(C(=C)c3nc4c(-c5cccc(F)c5)cncc4[nH]3)c2)c1)c1ccccc1
• InChI: InChI=1S/C34H26FN5/c1-21-12-13-25(27-15-29(18-36-17-27)38-23(3)24-8-5-4-6-9-24)16-30(21)22(2)34-39-32-20-37-19-31(33(32)40-34)26-10-7-11-28(35)14-26/h4-20,38H,2-3H2,1H3,(H,39,40)
• InChIKey: LDKRDSZTKFPFPT-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine?

The IUPAC name of 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine (CID 145308603) is 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine.

What is the SMILES notation for 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine?

The canonical SMILES for 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine is C=C(Nc1cncc(-c2ccc(C)c(C(=C)c3nc4c(-c5cccc(F)c5)cncc4[nH]3)c2)c1)c1ccccc1.

What is the InChIKey of 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine?

The InChIKey is LDKRDSZTKFPFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FN5/c1-21-12-13-25(27-15-29(18-36-17-27)38-23(3)24-8-5-4-6-9-24)16-30(21)22(2)34-39-32-20-37-19-31(33(32)40-34)26-10-7-11-28(35)14-26/h4-20,38H,2-3H2,1H3,(H,39,40).

What are the key properties of 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine?

5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine has a molecular weight of 523.62 g/mol, XLogP of 8.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[1-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]ethenyl]-4-methylphenyl]-N-(1-phenylethenyl)pyridin-3-amine is sourced from PubChem (CID 145308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).