1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one

C20H22N4O2 — CID 140905496

IUPAC1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C20H22N4O2/c1-14(25)11-15-3-2-4-16(12-15)18-13-21-20-6-5-19(23-24(18)20)22-17-7-9-26-10-8-17/h2-6,12-13,17H,7-11H2,1H3,(H,22,23)
InChIKeySCLHIPTXHNOTKN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds5

About 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one

1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one (PubChem CID 140905496) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
PubChem CID140905496
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C20H22N4O2/c1-14(25)11-15-3-2-4-16(12-15)18-13-21-20-6-5-19(23-24(18)20)22-17-7-9-26-10-8-17/h2-6,12-13,17H,7-11H2,1H3,(H,22,23)
InChIKeySCLHIPTXHNOTKN-UHFFFAOYSA-N
XLogP3.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one (CID 140905496) is 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one is CC(=O)Cc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.
What is the InChIKey of 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one?
The InChIKey is SCLHIPTXHNOTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(25)11-15-3-2-4-16(12-15)18-13-21-20-6-5-19(23-24(18)20)22-17-7-9-26-10-8-17/h2-6,12-13,17H,7-11H2,1H3,(H,22,23).
What are the key properties of 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one?
1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one is sourced from PubChem (CID 140905496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).