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

C28H26N6 — CID 127035763

IUPAC6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C28H26N6/c1-32-16-18-33(19-17-32)26-11-10-25-30-27(28(34(25)31-26)22-12-14-29-15-13-22)24-9-5-8-23(20-24)21-6-3-2-4-7-21/h2-15,20H,16-19H2,1H3
InChIKeyBFGWDKKQMJFYGX-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.88
Rot. Bonds4

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

6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127035763) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127035763
Molecular FormulaC28H26N6
Molecular Weight446.56 g/mol
Exact Mass446.22
IUPAC Name6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C28H26N6/c1-32-16-18-33(19-17-32)26-11-10-25-30-27(28(34(25)31-26)22-12-14-29-15-13-22)24-9-5-8-23(20-24)21-6-3-2-4-7-21/h2-15,20H,16-19H2,1H3
InChIKeyBFGWDKKQMJFYGX-UHFFFAOYSA-N
XLogP4.88
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127035763) is 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5)c4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is BFGWDKKQMJFYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6/c1-32-16-18-33(19-17-32)26-11-10-25-30-27(28(34(25)31-26)22-12-14-29-15-13-22)24-9-5-8-23(20-24)21-6-3-2-4-7-21/h2-15,20H,16-19H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 446.56 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-(3-phenylphenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127035763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).