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

C25H22N6O2 — CID 86582299

IUPAC4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESc1cncc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)c1
InChIInChI=1S/C25H22N6O2/c1-2-6-20-18(4-1)7-8-23(28-20)33-17-21-24(19-5-3-10-26-16-19)31-25(29-21)22(9-11-27-31)30-12-14-32-15-13-30/h1-11,16H,12-15,17H2
InChIKeyDFEGCLOONZTGRR-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.76
Rot. Bonds5

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

4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 86582299) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID86582299
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESc1cncc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)c1
InChIInChI=1S/C25H22N6O2/c1-2-6-20-18(4-1)7-8-23(28-20)33-17-21-24(19-5-3-10-26-16-19)31-25(29-21)22(9-11-27-31)30-12-14-32-15-13-30/h1-11,16H,12-15,17H2
InChIKeyDFEGCLOONZTGRR-UHFFFAOYSA-N
XLogP3.76
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 86582299) is 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is c1cncc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)c1.
What is the InChIKey of 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is DFEGCLOONZTGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-2-6-20-18(4-1)7-8-23(28-20)33-17-21-24(19-5-3-10-26-16-19)31-25(29-21)22(9-11-27-31)30-12-14-32-15-13-30/h1-11,16H,12-15,17H2.
What are the key properties of 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 438.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 86582299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).