5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

C29H28FN7O4 — CID 154697463

About 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 154697463) has the molecular formula C29H28FN7O4 and a molecular weight of 557.59 g/mol. Its IUPAC name is 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 154697463
• Molecular Formula: C29H28FN7O4
• Molecular Weight: 557.59 g/mol
• Exact Mass: 557.22
• IUPAC Name: 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(=O)C(C)(C)C#N)cn3n2)cc1C(=O)NCc1cc(OCC2CC2)ccc1F
• InChI: InChI=1S/C29H28FN7O4/c1-29(2,16-31)28(39)35-24-14-37-25(34-24)9-8-23(36-37)19-11-21(27(40-3)33-13-19)26(38)32-12-18-10-20(6-7-22(18)30)41-15-17-4-5-17/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,32,38)(H,35,39)
• InChIKey: ZNLVXBNOONNKMH-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 143.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.59
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 154697463) is 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(=O)C(C)(C)C#N)cn3n2)cc1C(=O)NCc1cc(OCC2CC2)ccc1F.

What is the InChIKey of 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is ZNLVXBNOONNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN7O4/c1-29(2,16-31)28(39)35-24-14-37-25(34-24)9-8-23(36-37)19-11-21(27(40-3)33-13-19)26(38)32-12-18-10-20(6-7-22(18)30)41-15-17-4-5-17/h6-11,13-14,17H,4-5,12,15H2,1-3H3,(H,32,38)(H,35,39).

What are the key properties of 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 557.59 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2-cyano-2-methylpropanoyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-[[5-(cyclopropylmethoxy)-2-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154697463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).