[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone

C124H107ClFN27O16S — CID 158901192

About [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone

[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 158901192) has the molecular formula C124H107ClFN27O16S and a molecular weight of 2317.91 g/mol. Its IUPAC name is [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 158901192
• Molecular Formula: C124H107ClFN27O16S
• Molecular Weight: 2317.91 g/mol
• Exact Mass: 2315.78
• IUPAC Name: [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5cc(C)c(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C27H23ClN6O4.C26H24N6O4S.C24H21N5O3.C24H21N5O2.C23H18FN5O3/c1-36-18-3-5-20-23(15-18)29-9-8-24(20)38-16-26-31-30-25-7-6-22(32-34(25)26)17-2-4-19(21(28)14-17)27(35)33-10-12-37-13-11-33;1-16-13-22(37-25(16)26(33)31-9-11-35-12-10-31)19-5-6-23-28-29-24(32(23)30-19)15-36-21-7-8-27-20-14-17(34-2)3-4-18(20)21;1-15-12-16(4-8-21(15)31-3)19-7-9-23-26-27-24(29(23)28-19)14-32-22-10-11-25-20-13-17(30-2)5-6-18(20)22;1-15-4-5-17(12-16(15)2)20-8-9-23-26-27-24(29(23)28-20)14-31-22-10-11-25-21-13-18(30-3)6-7-19(21)22;1-30-15-4-5-16-19(12-15)25-10-9-20(16)32-13-23-27-26-22-8-6-18(28-29(22)23)14-3-7-21(31-2)17(24)11-14/h2-9,14-15H,10-13,16H2,1H3;3-8,13-14H,9-12,15H2,1-2H3;4-13H,14H2,1-3H3;4-13H,14H2,1-3H3;3-12H,13H2,1-2H3
• InChIKey: JFLVECCLYSPCHF-UHFFFAOYSA-N
• XLogP: 20.69
• TPSA: 449.69 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 29
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.91
LogP ≤ 5	20.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone (CID 158901192) is [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone is COc1ccc2c(OCc3nnc4ccc(-c5cc(C)c(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C)c(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(OC)c(F)c5)nn34)ccnc2c1.

What is the InChIKey of [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone?

The InChIKey is JFLVECCLYSPCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O4.C26H24N6O4S.C24H21N5O3.C24H21N5O2.C23H18FN5O3/c1-36-18-3-5-20-23(15-18)29-9-8-24(20)38-16-26-31-30-25-7-6-22(32-34(25)26)17-2-4-19(21(28)14-17)27(35)33-10-12-37-13-11-33;1-16-13-22(37-25(16)26(33)31-9-11-35-12-10-31)19-5-6-23-28-29-24(32(23)30-19)15-36-21-7-8-27-20-14-17(34-2)3-4-18(20)21;1-15-12-16(4-8-21(15)31-3)19-7-9-23-26-27-24(29(23)28-19)14-32-22-10-11-25-20-13-17(30-2)5-6-18(20)22;1-15-4-5-17(12-16(15)2)20-8-9-23-26-27-24(29(23)28-20)14-31-22-10-11-25-21-13-18(30-3)6-7-19(21)22;1-30-15-4-5-16-19(12-15)25-10-9-20(16)32-13-23-27-26-22-8-6-18(28-29(22)23)14-3-7-21(31-2)17(24)11-14/h2-9,14-15H,10-13,16H2,1H3;3-8,13-14H,9-12,15H2,1-2H3;4-13H,14H2,1-3H3;4-13H,14H2,1-3H3;3-12H,13H2,1-2H3.

What are the key properties of [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone?

[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 2317.91 g/mol, XLogP of 20.69, 29 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(4-methoxy-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methylthiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158901192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).