5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole

C25H18ClN7O3 — CID 25065972

IUPAC5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccc(-c6nc(C)no6)c(Cl)c5)nn34)ccnc2c1
InChIInChI=1S/C25H18ClN7O3/c1-14-28-25(36-32-14)17-5-3-15(11-19(17)26)20-7-8-23-29-30-24(33(23)31-20)13-35-22-9-10-27-21-12-16(34-2)4-6-18(21)22/h3-12H,13H2,1-2H3
InChIKeyZVPZUGNWAQYSOK-UHFFFAOYSA-N
MW499.92 g/mol
LogP4.94
Rot. Bonds6

About 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole

5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 25065972) has the molecular formula C25H18ClN7O3 and a molecular weight of 499.92 g/mol. Its IUPAC name is 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID25065972
Molecular FormulaC25H18ClN7O3
Molecular Weight499.92 g/mol
Exact Mass499.12
IUPAC Name5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5ccc(-c6nc(C)no6)c(Cl)c5)nn34)ccnc2c1
InChIInChI=1S/C25H18ClN7O3/c1-14-28-25(36-32-14)17-5-3-15(11-19(17)26)20-7-8-23-29-30-24(33(23)31-20)13-35-22-9-10-27-21-12-16(34-2)4-6-18(21)22/h3-12H,13H2,1-2H3
InChIKeyZVPZUGNWAQYSOK-UHFFFAOYSA-N
XLogP4.94
TPSA113.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.92
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole 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 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole (CID 25065972) is 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole is COc1ccc2c(OCc3nnc4ccc(-c5ccc(-c6nc(C)no6)c(Cl)c5)nn34)ccnc2c1.
What is the InChIKey of 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ZVPZUGNWAQYSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN7O3/c1-14-28-25(36-32-14)17-5-3-15(11-19(17)26)20-7-8-23-29-30-24(33(23)31-20)13-35-22-9-10-27-21-12-16(34-2)4-6-18(21)22/h3-12H,13H2,1-2H3.
What are the key properties of 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole?
5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 499.92 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 25065972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).