4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine

C20H17ClN6O — CID 90418076

IUPAC4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(N4CCOCC4)nn3)nc3ccncc32)cc1
InChIInChI=1S/C20H17ClN6O/c21-14-1-3-15(4-2-14)27-18-13-22-8-7-16(18)23-20(27)17-5-6-19(25-24-17)26-9-11-28-12-10-26/h1-8,13H,9-12H2
InChIKeyAOJLIMRFXUYBMG-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.37
Rot. Bonds3

About 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine

4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine (PubChem CID 90418076) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine
PubChem CID90418076
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(N4CCOCC4)nn3)nc3ccncc32)cc1
InChIInChI=1S/C20H17ClN6O/c21-14-1-3-15(4-2-14)27-18-13-22-8-7-16(18)23-20(27)17-5-6-19(25-24-17)26-9-11-28-12-10-26/h1-8,13H,9-12H2
InChIKeyAOJLIMRFXUYBMG-UHFFFAOYSA-N
XLogP3.37
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine (CID 90418076) is 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine is Clc1ccc(-n2c(-c3ccc(N4CCOCC4)nn3)nc3ccncc32)cc1.
What is the InChIKey of 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine?
The InChIKey is AOJLIMRFXUYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c21-14-1-3-15(4-2-14)27-18-13-22-8-7-16(18)23-20(27)17-5-6-19(25-24-17)26-9-11-28-12-10-26/h1-8,13H,9-12H2.
What are the key properties of 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine?
4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine has a molecular weight of 392.85 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 90418076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).