5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

C26H24F2N6O4 — CID 165437126

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 165437126) has the molecular formula C26H24F2N6O4 and a molecular weight of 522.51 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• PubChem CID: 165437126
• Molecular Formula: C26H24F2N6O4
• Molecular Weight: 522.51 g/mol
• Exact Mass: 522.18
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OCC1CC1
• InChI: InChI=1S/C26H24F2N6O4/c1-14(35)31-22-12-34-23(32-22)6-5-21(33-34)16-8-19(26(37-2)30-10-16)25(36)29-11-17-7-18(27)9-20(28)24(17)38-13-15-3-4-15/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,29,36)(H,31,35)
• InChIKey: CXQXAXGVRWRAJR-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.51
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 165437126) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OCC1CC1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

The InChIKey is CXQXAXGVRWRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O4/c1-14(35)31-22-12-34-23(32-22)6-5-21(33-34)16-8-19(26(37-2)30-10-16)25(36)29-11-17-7-18(27)9-20(28)24(17)38-13-15-3-4-15/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,29,36)(H,31,35).

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 522.51 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 165437126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).