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

C23H21N7S — CID 127037644

IUPAC6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5ncsc5c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H21N7S/c1-28-10-12-29(13-11-28)21-5-4-20-26-22(17-2-3-18-19(14-17)31-15-25-18)23(30(20)27-21)16-6-8-24-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeySSGUNNUGCYUWCP-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.82
Rot. Bonds3

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

6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole (PubChem CID 127037644) has the molecular formula C23H21N7S and a molecular weight of 427.54 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole
PubChem CID127037644
Molecular FormulaC23H21N7S
Molecular Weight427.54 g/mol
Exact Mass427.16
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5ncsc5c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H21N7S/c1-28-10-12-29(13-11-28)21-5-4-20-26-22(17-2-3-18-19(14-17)31-15-25-18)23(30(20)27-21)16-6-8-24-9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeySSGUNNUGCYUWCP-UHFFFAOYSA-N
XLogP3.82
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole (CID 127037644) is 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole is CN1CCN(c2ccc3nc(-c4ccc5ncsc5c4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole?
The InChIKey is SSGUNNUGCYUWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7S/c1-28-10-12-29(13-11-28)21-5-4-20-26-22(17-2-3-18-19(14-17)31-15-25-18)23(30(20)27-21)16-6-8-24-9-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole?
6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole has a molecular weight of 427.54 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 127037644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).