5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide

C28H28F2N6O5 — CID 155074325

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOC(C)C1
InChIInChI=1S/C28H28F2N6O5/c1-15-8-20(6-7-40-15)41-26-18(9-19(29)11-22(26)30)13-31-27(38)21-10-17(12-32-28(21)39-3)23-4-5-25-34-24(33-16(2)37)14-36(25)35-23/h4-5,9-12,14-15,20H,6-8,13H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyMCGSNAWXBYZLHY-UHFFFAOYSA-N
MW566.57 g/mol
LogP3.91
Rot. Bonds8

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074325) has the molecular formula C28H28F2N6O5 and a molecular weight of 566.57 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074325
Molecular FormulaC28H28F2N6O5
Molecular Weight566.57 g/mol
Exact Mass566.21
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOC(C)C1
InChIInChI=1S/C28H28F2N6O5/c1-15-8-20(6-7-40-15)41-26-18(9-19(29)11-22(26)30)13-31-27(38)21-10-17(12-32-28(21)39-3)23-4-5-25-34-24(33-16(2)37)14-36(25)35-23/h4-5,9-12,14-15,20H,6-8,13H2,1-3H3,(H,31,38)(H,33,37)
InChIKeyMCGSNAWXBYZLHY-UHFFFAOYSA-N
XLogP3.91
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.57
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074325) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOC(C)C1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MCGSNAWXBYZLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O5/c1-15-8-20(6-7-40-15)41-26-18(9-19(29)11-22(26)30)13-31-27(38)21-10-17(12-32-28(21)39-3)23-4-5-25-34-24(33-16(2)37)14-36(25)35-23/h4-5,9-12,14-15,20H,6-8,13H2,1-3H3,(H,31,38)(H,33,37).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 566.57 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(2-methyloxan-4-yl)oxyphenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).