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

C27H26N6O — CID 127034761

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIInChI=1S/C27H26N6O/c1-31-14-16-32(17-15-31)25-9-8-24-29-26(27(33(24)30-25)19-10-12-28-13-11-19)23-5-3-4-20-18-21(34-2)6-7-22(20)23/h3-13,18H,14-17H2,1-2H3
InChIKeyKIRLMHCLAUXGKI-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.37
Rot. Bonds4

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

2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 127034761) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID127034761
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1
InChIInChI=1S/C27H26N6O/c1-31-14-16-32(17-15-31)25-9-8-24-29-26(27(33(24)30-25)19-10-12-28-13-11-19)23-5-3-4-20-18-21(34-2)6-7-22(20)23/h3-13,18H,14-17H2,1-2H3
InChIKeyKIRLMHCLAUXGKI-UHFFFAOYSA-N
XLogP4.37
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 127034761) is 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is COc1ccc2c(-c3nc4ccc(N5CCN(C)CC5)nn4c3-c3ccncc3)cccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is KIRLMHCLAUXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-31-14-16-32(17-15-31)25-9-8-24-29-26(27(33(24)30-25)19-10-12-28-13-11-19)23-5-3-4-20-18-21(34-2)6-7-22(20)23/h3-13,18H,14-17H2,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 450.55 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-1-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 127034761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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