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

C23H24N6O — CID 25144373

IUPAC2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOc1cccc(-c2nc3ccc(N4CCN(C)CC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C23H24N6O/c1-27-12-14-28(15-13-27)21-7-6-20-25-22(18-4-3-5-19(16-18)30-2)23(29(20)26-21)17-8-10-24-11-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyPGJNVECBMPJQRU-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.22
Rot. Bonds4

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

2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25144373) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25144373
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOc1cccc(-c2nc3ccc(N4CCN(C)CC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C23H24N6O/c1-27-12-14-28(15-13-27)21-7-6-20-25-22(18-4-3-5-19(16-18)30-2)23(29(20)26-21)17-8-10-24-11-9-17/h3-11,16H,12-15H2,1-2H3
InChIKeyPGJNVECBMPJQRU-UHFFFAOYSA-N
XLogP3.22
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25144373) is 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is COc1cccc(-c2nc3ccc(N4CCN(C)CC4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is PGJNVECBMPJQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-27-12-14-28(15-13-27)21-7-6-20-25-22(18-4-3-5-19(16-18)30-2)23(29(20)26-21)17-8-10-24-11-9-17/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 400.49 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).