1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone

C18H20N6O — CID 135201833

IUPAC1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone
SMILESCN1CCN(c2ccc3ncc(C(=O)Cc4ccccn4)n3n2)CC1
InChIInChI=1S/C18H20N6O/c1-22-8-10-23(11-9-22)18-6-5-17-20-13-15(24(17)21-18)16(25)12-14-4-2-3-7-19-14/h2-7,13H,8-12H2,1H3
InChIKeyJCHQBMJFFGRUFF-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.30
Rot. Bonds4

About 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone

1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone (PubChem CID 135201833) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone
PubChem CID135201833
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone
SMILESCN1CCN(c2ccc3ncc(C(=O)Cc4ccccn4)n3n2)CC1
InChIInChI=1S/C18H20N6O/c1-22-8-10-23(11-9-22)18-6-5-17-20-13-15(24(17)21-18)16(25)12-14-4-2-3-7-19-14/h2-7,13H,8-12H2,1H3
InChIKeyJCHQBMJFFGRUFF-UHFFFAOYSA-N
XLogP1.30
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone (CID 135201833) is 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone is CN1CCN(c2ccc3ncc(C(=O)Cc4ccccn4)n3n2)CC1.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone?
The InChIKey is JCHQBMJFFGRUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-8-10-23(11-9-22)18-6-5-17-20-13-15(24(17)21-18)16(25)12-14-4-2-3-7-19-14/h2-7,13H,8-12H2,1H3.
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone?
1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone has a molecular weight of 336.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 135201833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).