5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

C30H33FN6O4 — CID 155074301

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 155074301) has the molecular formula C30H33FN6O4 and a molecular weight of 560.63 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• PubChem CID: 155074301
• Molecular Formula: C30H33FN6O4
• Molecular Weight: 560.63 g/mol
• Exact Mass: 560.25
• IUPAC Name: 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
• SMILES: CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(F)c4OC4C[C@@H](C)O[C@@H](C)C4)c(C)nc3C)ccc2n1
• InChI: InChI=1S/C30H33FN6O4/c1-16-11-22(12-17(2)40-16)41-29-21(7-6-8-25(29)31)14-32-30(39)24-13-23(18(3)33-19(24)4)26-9-10-28-35-27(34-20(5)38)15-37(28)36-26/h6-10,13,15-17,22H,11-12,14H2,1-5H3,(H,32,39)(H,34,38)/t16-,17+,22?
• InChIKey: YFPMIRNFVFKWJG-AQKKSAQBSA-N
• XLogP: 4.77
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.63
LogP ≤ 5	4.77
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-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide (CID 155074301) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide.

What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cc(C(=O)NCc4cccc(F)c4OC4C[C@@H](C)O[C@@H](C)C4)c(C)nc3C)ccc2n1.

What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

The InChIKey is YFPMIRNFVFKWJG-AQKKSAQBSA-N. The full InChI is InChI=1S/C30H33FN6O4/c1-16-11-22(12-17(2)40-16)41-29-21(7-6-8-25(29)31)14-32-30(39)24-13-23(18(3)33-19(24)4)26-9-10-28-35-27(34-20(5)38)15-37(28)36-26/h6-10,13,15-17,22H,11-12,14H2,1-5H3,(H,32,39)(H,34,38)/t16-,17+,22?.

What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide?

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[2-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 560.63 g/mol, XLogP of 4.77, 7 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-[(2R,6S)-2,6-dimethyloxan-4-yl]oxy-3-fluorophenyl]methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 155074301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).