N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide

C27H21FN8OS — CID 140768639

About N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide

N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 140768639) has the molecular formula C27H21FN8OS and a molecular weight of 524.59 g/mol. Its IUPAC name is N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 140768639
• Molecular Formula: C27H21FN8OS
• Molecular Weight: 524.59 g/mol
• Exact Mass: 524.15
• IUPAC Name: N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccnc(-c2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)c1NC(=O)c1cncs1
• InChI: InChI=1S/C27H21FN8OS/c1-15-10-11-30-25(23(15)33-27(37)21-12-29-14-38-21)20-13-36-22(32-20)9-8-19(34-36)26-24(31-16(2)35(26)3)17-4-6-18(28)7-5-17/h4-14H,1-3H3,(H,33,37)
• InChIKey: IBSHXIMRABFJHK-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 102.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.59
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 140768639) is N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1ccnc(-c2cn3nc(-c4c(-c5ccc(F)cc5)nc(C)n4C)ccc3n2)c1NC(=O)c1cncs1.

What is the InChIKey of N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide?

The InChIKey is IBSHXIMRABFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8OS/c1-15-10-11-30-25(23(15)33-27(37)21-12-29-14-38-21)20-13-36-22(32-20)9-8-19(34-36)26-24(31-16(2)35(26)3)17-4-6-18(28)7-5-17/h4-14H,1-3H3,(H,33,37).

What are the key properties of N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide?

N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 524.59 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 140768639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).