6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine

C26H24N6S — CID 127035765

IUPAC6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C26H24N6S/c1-30-12-14-31(15-13-30)24-6-5-23-28-25(26(32(23)29-24)19-7-10-27-11-8-19)21-4-2-3-20(17-21)22-9-16-33-18-22/h2-11,16-18H,12-15H2,1H3
InChIKeySFRAFCXSYLFFIR-UHFFFAOYSA-N
MW452.59 g/mol
LogP4.94
Rot. Bonds4

About 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine

6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 127035765) has the molecular formula C26H24N6S and a molecular weight of 452.59 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine
PubChem CID127035765
Molecular FormulaC26H24N6S
Molecular Weight452.59 g/mol
Exact Mass452.18
IUPAC Name6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C26H24N6S/c1-30-12-14-31(15-13-30)24-6-5-23-28-25(26(32(23)29-24)19-7-10-27-11-8-19)21-4-2-3-20(17-21)22-9-16-33-18-22/h2-11,16-18H,12-15H2,1H3
InChIKeySFRAFCXSYLFFIR-UHFFFAOYSA-N
XLogP4.94
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine (CID 127035765) is 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is SFRAFCXSYLFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6S/c1-30-12-14-31(15-13-30)24-6-5-23-28-25(26(32(23)29-24)19-7-10-27-11-8-19)21-4-2-3-20(17-21)22-9-16-33-18-22/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine?
6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 452.59 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(3-thiophen-3-ylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 127035765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).