N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C30H20FN7O2S — CID 118538849

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 118538849) has the molecular formula C30H20FN7O2S and a molecular weight of 561.60 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 118538849
• Molecular Formula: C30H20FN7O2S
• Molecular Weight: 561.60 g/mol
• Exact Mass: 561.14
• IUPAC Name: N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc(-c2nc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)cs2)cc1
• InChI: InChI=1S/C30H20FN7O2S/c1-40-21-11-7-19(8-12-21)30-32-23(17-41-30)29(39)34-24-16-38-26(33-24)14-13-22(36-38)28-27(18-5-9-20(31)10-6-18)35-25-4-2-3-15-37(25)28/h2-17H,1H3,(H,34,39)
• InChIKey: DQFYYYMYLXXXLY-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 98.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.60
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 118538849) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)cs2)cc1.

What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is DQFYYYMYLXXXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7O2S/c1-40-21-11-7-19(8-12-21)30-32-23(17-41-30)29(39)34-24-16-38-26(33-24)14-13-22(36-38)28-27(18-5-9-20(31)10-6-18)35-25-4-2-3-15-37(25)28/h2-17H,1H3,(H,34,39).

What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 561.60 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118538849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).