4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine

C21H19N5O — CID 90670266

IUPAC4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
SMILESc1cc(-c2cnc3ccc(-c4ccc(N5CCOCC5)cc4)nn23)ccn1
InChIInChI=1S/C21H19N5O/c1-3-18(25-11-13-27-14-12-25)4-2-16(1)19-5-6-21-23-15-20(26(21)24-19)17-7-9-22-10-8-17/h1-10,15H,11-14H2
InChIKeyGJQRUQFUHAKMBW-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.29
Rot. Bonds3

About 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine

4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine (PubChem CID 90670266) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
PubChem CID90670266
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
SMILESc1cc(-c2cnc3ccc(-c4ccc(N5CCOCC5)cc4)nn23)ccn1
InChIInChI=1S/C21H19N5O/c1-3-18(25-11-13-27-14-12-25)4-2-16(1)19-5-6-21-23-15-20(26(21)24-19)17-7-9-22-10-8-17/h1-10,15H,11-14H2
InChIKeyGJQRUQFUHAKMBW-UHFFFAOYSA-N
XLogP3.29
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine (CID 90670266) is 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine is c1cc(-c2cnc3ccc(-c4ccc(N5CCOCC5)cc4)nn23)ccn1.
What is the InChIKey of 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine?
The InChIKey is GJQRUQFUHAKMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-18(25-11-13-27-14-12-25)4-2-16(1)19-5-6-21-23-15-20(26(21)24-19)17-7-9-22-10-8-17/h1-10,15H,11-14H2.
What are the key properties of 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine?
4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine has a molecular weight of 357.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine is sourced from PubChem (CID 90670266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).