6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine

C18H23N5OS — CID 68820661

IUPAC6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C18H23N5OS/c1-21-8-10-22(11-9-21)7-3-12-24-18-6-5-17-19-14-15(23(17)20-18)16-4-2-13-25-16/h2,4-6,13-14H,3,7-12H2,1H3
InChIKeyCZXXIHVEYWZMMC-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.47
Rot. Bonds6

About 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine

6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 68820661) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID68820661
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(CCCOc2ccc3ncc(-c4cccs4)n3n2)CC1
InChIInChI=1S/C18H23N5OS/c1-21-8-10-22(11-9-21)7-3-12-24-18-6-5-17-19-14-15(23(17)20-18)16-4-2-13-25-16/h2,4-6,13-14H,3,7-12H2,1H3
InChIKeyCZXXIHVEYWZMMC-UHFFFAOYSA-N
XLogP2.47
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 68820661) is 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine is CN1CCN(CCCOc2ccc3ncc(-c4cccs4)n3n2)CC1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is CZXXIHVEYWZMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-21-8-10-22(11-9-21)7-3-12-24-18-6-5-17-19-14-15(23(17)20-18)16-4-2-13-25-16/h2,4-6,13-14H,3,7-12H2,1H3.
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 357.48 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)propoxy]-3-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68820661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).