4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine

C27H25FN6O3 — CID 25064928

IUPAC4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)c(F)c5)nn34)ccnc2c1
InChIInChI=1S/C27H25FN6O3/c1-35-20-4-5-21-24(15-20)29-9-8-25(21)37-17-27-31-30-26-7-6-23(32-34(26)27)18-2-3-19(22(28)14-18)16-33-10-12-36-13-11-33/h2-9,14-15H,10-13,16-17H2,1H3
InChIKeyRHKIJPKULOJMRT-UHFFFAOYSA-N
MW500.53 g/mol
LogP3.90
Rot. Bonds7

About 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine

4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine (PubChem CID 25064928) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine
PubChem CID25064928
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)c(F)c5)nn34)ccnc2c1
InChIInChI=1S/C27H25FN6O3/c1-35-20-4-5-21-24(15-20)29-9-8-25(21)37-17-27-31-30-26-7-6-23(32-34(26)27)18-2-3-19(22(28)14-18)16-33-10-12-36-13-11-33/h2-9,14-15H,10-13,16-17H2,1H3
InChIKeyRHKIJPKULOJMRT-UHFFFAOYSA-N
XLogP3.90
TPSA86.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine (CID 25064928) is 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine is COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)c(F)c5)nn34)ccnc2c1.
What is the InChIKey of 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?
The InChIKey is RHKIJPKULOJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-35-20-4-5-21-24(15-20)29-9-8-25(21)37-17-27-31-30-26-7-6-23(32-34(26)27)18-2-3-19(22(28)14-18)16-33-10-12-36-13-11-33/h2-9,14-15H,10-13,16-17H2,1H3.
What are the key properties of 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?
4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine has a molecular weight of 500.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 25064928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).