[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone

C18H17ClN4O — CID 155547896

IUPAC[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(c2cn3nc(Cl)ccc3n2)C1
InChIInChI=1S/C18H17ClN4O/c19-16-8-9-17-20-15(12-23(17)21-16)14-7-4-10-22(11-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14H,4,7,10-11H2
InChIKeyJKGJSRZNHDGJCM-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.40
Rot. Bonds2

About [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone

[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 155547896) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone
PubChem CID155547896
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(c2cn3nc(Cl)ccc3n2)C1
InChIInChI=1S/C18H17ClN4O/c19-16-8-9-17-20-15(12-23(17)21-16)14-7-4-10-22(11-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14H,4,7,10-11H2
InChIKeyJKGJSRZNHDGJCM-UHFFFAOYSA-N
XLogP3.40
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone (CID 155547896) is [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(c2cn3nc(Cl)ccc3n2)C1.
What is the InChIKey of [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is JKGJSRZNHDGJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-16-8-9-17-20-15(12-23(17)21-16)14-7-4-10-22(11-14)18(24)13-5-2-1-3-6-13/h1-3,5-6,8-9,12,14H,4,7,10-11H2.
What are the key properties of [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone?
[3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 340.81 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 155547896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).