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

C27H26F2N6O5 — CID 155074097

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOCC1
InChIInChI=1S/C27H26F2N6O5/c1-15(36)32-23-14-35-24(33-23)4-3-22(34-35)16-10-20(27(38-2)31-12-16)26(37)30-13-17-9-18(28)11-21(29)25(17)40-19-5-7-39-8-6-19/h3-4,9-12,14,19H,5-8,13H2,1-2H3,(H,30,37)(H,32,36)
InChIKeyKEIQFMNOLQPIPY-UHFFFAOYSA-N
MW552.54 g/mol
LogP3.52
Rot. Bonds8

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074097) has the molecular formula C27H26F2N6O5 and a molecular weight of 552.54 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074097
Molecular FormulaC27H26F2N6O5
Molecular Weight552.54 g/mol
Exact Mass552.19
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOCC1
InChIInChI=1S/C27H26F2N6O5/c1-15(36)32-23-14-35-24(33-23)4-3-22(34-35)16-10-20(27(38-2)31-12-16)26(37)30-13-17-9-18(28)11-21(29)25(17)40-19-5-7-39-8-6-19/h3-4,9-12,14,19H,5-8,13H2,1-2H3,(H,30,37)(H,32,36)
InChIKeyKEIQFMNOLQPIPY-UHFFFAOYSA-N
XLogP3.52
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.54
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]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-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074097) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]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-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1cc(F)cc(F)c1OC1CCOCC1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is KEIQFMNOLQPIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6O5/c1-15(36)32-23-14-35-24(33-23)4-3-22(34-35)16-10-20(27(38-2)31-12-16)26(37)30-13-17-9-18(28)11-21(29)25(17)40-19-5-7-39-8-6-19/h3-4,9-12,14,19H,5-8,13H2,1-2H3,(H,30,37)(H,32,36).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[3,5-difluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 3.52, 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-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).