N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide

C44H36N6O6 — CID 129252689

About N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide

N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 129252689) has the molecular formula C44H36N6O6 and a molecular weight of 744.81 g/mol. Its IUPAC name is N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide
• PubChem CID: 129252689
• Molecular Formula: C44H36N6O6
• Molecular Weight: 744.81 g/mol
• Exact Mass: 744.27
• IUPAC Name: N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cc(-c3ccn4cc(-c5ccccc5NC(=O)c5ccc(OC)c(OC)c5)nc4c3)ccc2-c2cn3ccccc3n2)c(OC)c1
• InChI: InChI=1S/C44H36N6O6/c1-53-30-14-16-33(39(24-30)55-3)44(52)48-35-21-27(12-15-32(35)37-25-49-19-8-7-11-41(49)45-37)28-18-20-50-26-36(46-42(50)23-28)31-9-5-6-10-34(31)47-43(51)29-13-17-38(54-2)40(22-29)56-4/h5-26H,1-4H3,(H,47,51)(H,48,52)
• InChIKey: LBCPCYSBLCFVIN-UHFFFAOYSA-N
• XLogP: 8.52
• TPSA: 129.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.81
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide (CID 129252689) is N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccn4cc(-c5ccccc5NC(=O)c5ccc(OC)c(OC)c5)nc4c3)ccc2-c2cn3ccccc3n2)c(OC)c1.

What is the InChIKey of N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide?

The InChIKey is LBCPCYSBLCFVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6O6/c1-53-30-14-16-33(39(24-30)55-3)44(52)48-35-21-27(12-15-32(35)37-25-49-19-8-7-11-41(49)45-37)28-18-20-50-26-36(46-42(50)23-28)31-9-5-6-10-34(31)47-43(51)29-13-17-38(54-2)40(22-29)56-4/h5-26H,1-4H3,(H,47,51)(H,48,52).

What are the key properties of N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide?

N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 744.81 g/mol, XLogP of 8.52, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[7-[3-[(2,4-dimethoxybenzoyl)amino]-4-imidazo[1,2-a]pyridin-2-ylphenyl]imidazo[1,2-a]pyridin-2-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 129252689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).