1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine

C30H22Cl2N8 — CID 135402140

About 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine

1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine (PubChem CID 135402140) has the molecular formula C30H22Cl2N8 and a molecular weight of 565.47 g/mol. Its IUPAC name is 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine.

Molecular Properties

• Compound Name: 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine
• PubChem CID: 135402140
• Molecular Formula: C30H22Cl2N8
• Molecular Weight: 565.47 g/mol
• Exact Mass: 564.13
• IUPAC Name: 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine
• SMILES: [H]/N=C(\Nc1ccc(-c2ccccc2)nn1)Nc1ccccc1Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)cnc12
• InChI: InChI=1S/C30H22Cl2N8/c31-21-13-12-20(17-22(21)32)27-18-34-29-26(11-6-16-40(27)29)35-24-9-4-5-10-25(24)36-30(33)37-28-15-14-23(38-39-28)19-7-2-1-3-8-19/h1-18,35H,(H3,33,36,37,39)
• InChIKey: FKHMINOSSMZOEF-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 103.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.47
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine?

The IUPAC name of 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine (CID 135402140) is 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine.

What is the SMILES notation for 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine?

The canonical SMILES for 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine is [H]/N=C(\Nc1ccc(-c2ccccc2)nn1)Nc1ccccc1Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)cnc12.

What is the InChIKey of 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine?

The InChIKey is FKHMINOSSMZOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N8/c31-21-13-12-20(17-22(21)32)27-18-34-29-26(11-6-16-40(27)29)35-24-9-4-5-10-25(24)36-30(33)37-28-15-14-23(38-39-28)19-7-2-1-3-8-19/h1-18,35H,(H3,33,36,37,39).

What are the key properties of 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine?

1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine has a molecular weight of 565.47 g/mol, XLogP of 7.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3-(3,4-dichlorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)guanidine is sourced from PubChem (CID 135402140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).