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

C27H27FN6O5 — CID 155074183

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccc(F)cc1OC1CCOCC1
InChIInChI=1S/C27H27FN6O5/c1-16(35)31-24-15-34-25(32-24)6-5-22(33-34)18-11-21(27(37-2)30-14-18)26(36)29-13-17-3-4-19(28)12-23(17)39-20-7-9-38-10-8-20/h3-6,11-12,14-15,20H,7-10,13H2,1-2H3,(H,29,36)(H,31,35)
InChIKeyZUZRZYZDYRQIOK-UHFFFAOYSA-N
MW534.55 g/mol
LogP3.39
Rot. Bonds8

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 155074183) has the molecular formula C27H27FN6O5 and a molecular weight of 534.55 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
PubChem CID155074183
Molecular FormulaC27H27FN6O5
Molecular Weight534.55 g/mol
Exact Mass534.20
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccc(F)cc1OC1CCOCC1
InChIInChI=1S/C27H27FN6O5/c1-16(35)31-24-15-34-25(32-24)6-5-22(33-34)18-11-21(27(37-2)30-14-18)26(36)29-13-17-3-4-19(28)12-23(17)39-20-7-9-38-10-8-20/h3-6,11-12,14-15,20H,7-10,13H2,1-2H3,(H,29,36)(H,31,35)
InChIKeyZUZRZYZDYRQIOK-UHFFFAOYSA-N
XLogP3.39
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide (CID 155074183) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-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-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)NCc1ccc(F)cc1OC1CCOCC1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is ZUZRZYZDYRQIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O5/c1-16(35)31-24-15-34-25(32-24)6-5-22(33-34)18-11-21(27(37-2)30-14-18)26(36)29-13-17-3-4-19(28)12-23(17)39-20-7-9-38-10-8-20/h3-6,11-12,14-15,20H,7-10,13H2,1-2H3,(H,29,36)(H,31,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 534.55 g/mol, XLogP of 3.39, 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-[[4-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 155074183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).