2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole

C110H84Cl3FN32O10S — CID 159431399

About 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole

2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole (PubChem CID 159431399) has the molecular formula C110H84Cl3FN32O10S and a molecular weight of 2171.52 g/mol. Its IUPAC name is 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole
• PubChem CID: 159431399
• Molecular Formula: C110H84Cl3FN32O10S
• Molecular Weight: 2171.52 g/mol
• Exact Mass: 2168.58
• IUPAC Name: 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CCC(=O)N6)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C25H20N6O3.C22H15Cl2N5O2.C22H17ClN8O2.C21H16FN7O.C20H16N6O2S/c1-33-17-4-5-18-21(13-17)26-11-10-22(18)34-14-24-29-28-23-8-7-20(30-31(23)24)16-2-6-19-15(12-16)3-9-25(32)27-19;1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13;1-33-13-9-18-21(27-10-13)17(6-7-25-18)26-11-20-29-28-19-5-4-16(30-31(19)20)12-2-3-14(22(24)32)15(23)8-12;1-30-15-10-18-21(25-11-15)17(7-8-23-18)24-12-20-27-26-19-6-5-16(28-29(19)20)13-3-2-4-14(22)9-13;1-12-22-10-18(29-12)15-5-6-19-23-24-20(26(19)25-15)11-28-17-7-8-21-16-9-13(27-2)3-4-14(16)17/h2,4-8,10-13H,3,9,14H2,1H3,(H,27,32);2-11H,12H2,1H3;2-10H,11H2,1H3,(H2,24,32)(H,25,26);2-11H,12H2,1H3,(H,23,24);3-10H,11H2,1-2H3
• InChIKey: LRALBGDTKDATAU-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 488.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.52
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The IUPAC name of 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole (CID 159431399) is 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole.

What is the SMILES notation for 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The canonical SMILES for 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole is COc1ccc2c(OCc3nnc4ccc(-c5ccc(Cl)c(Cl)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CCC(=O)N6)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1.

What is the InChIKey of 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The InChIKey is LRALBGDTKDATAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3.C22H15Cl2N5O2.C22H17ClN8O2.C21H16FN7O.C20H16N6O2S/c1-33-17-4-5-18-21(13-17)26-11-10-22(18)34-14-24-29-28-23-8-7-20(30-31(23)24)16-2-6-19-15(12-16)3-9-25(32)27-19;1-30-14-3-4-15-19(11-14)25-9-8-20(15)31-12-22-27-26-21-7-6-18(28-29(21)22)13-2-5-16(23)17(24)10-13;1-33-13-9-18-21(27-10-13)17(6-7-25-18)26-11-20-29-28-19-5-4-16(30-31(19)20)12-2-3-14(22(24)32)15(23)8-12;1-30-15-10-18-21(25-11-15)17(7-8-23-18)24-12-20-27-26-19-6-5-16(28-29(19)20)13-3-2-4-14(22)9-13;1-12-22-10-18(29-12)15-5-6-19-23-24-20(26(19)25-15)11-28-17-7-8-21-16-9-13(27-2)3-4-14(16)17/h2,4-8,10-13H,3,9,14H2,1H3,(H,27,32);2-11H,12H2,1H3;2-10H,11H2,1H3,(H2,24,32)(H,25,26);2-11H,12H2,1H3,(H,23,24);3-10H,11H2,1-2H3.

What are the key properties of 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole has a molecular weight of 2171.52 g/mol, XLogP of 19.34, 26 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;6-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-quinolin-2-one;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 159431399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).