4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

C26H24N6O2 — CID 86582298

IUPAC4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C26H24N6O2/c1-18-6-7-20(16-27-18)25-22(17-34-24-9-8-19-4-2-3-5-21(19)29-24)30-26-23(10-11-28-32(25)26)31-12-14-33-15-13-31/h2-11,16H,12-15,17H2,1H3
InChIKeyFHYNQGYUMBDVPR-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.06
Rot. Bonds5

About 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 86582298) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID86582298
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESCc1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1
InChIInChI=1S/C26H24N6O2/c1-18-6-7-20(16-27-18)25-22(17-34-24-9-8-19-4-2-3-5-21(19)29-24)30-26-23(10-11-28-32(25)26)31-12-14-33-15-13-31/h2-11,16H,12-15,17H2,1H3
InChIKeyFHYNQGYUMBDVPR-UHFFFAOYSA-N
XLogP4.06
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 86582298) is 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is Cc1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1.
What is the InChIKey of 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is FHYNQGYUMBDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-18-6-7-20(16-27-18)25-22(17-34-24-9-8-19-4-2-3-5-21(19)29-24)30-26-23(10-11-28-32(25)26)31-12-14-33-15-13-31/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 452.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 86582298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).