2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

C116H96F2N30O12S — CID 157337003

About 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 157337003) has the molecular formula C116H96F2N30O12S and a molecular weight of 2172.30 g/mol. Its IUPAC name is 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 157337003
• Molecular Formula: C116H96F2N30O12S
• Molecular Weight: 2172.30 g/mol
• Exact Mass: 2170.75
• IUPAC Name: 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
• SMILES: COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC(C)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1.COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(N[C@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C26H23N5O4S.C24H19FN6O3.C22H16FN5O3.2C22H19N7O/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30;1-14(32)27-20-6-3-15(11-18(20)25)19-7-8-23-28-29-24(31(23)30-19)13-34-22-9-10-26-21-12-16(33-2)4-5-17(21)22;1-30-14-3-4-15-18(11-14)24-9-8-20(15)31-12-22-26-25-21-7-5-17(27-28(21)22)13-2-6-19(29)16(23)10-13;2*1-14(25-18-10-11-23-19-12-16(30-2)13-24-21(18)19)22-27-26-20-9-8-17(28-29(20)22)15-6-4-3-5-7-15/h2-9,14-15H,10-13,16H2,1H3;3-12H,13H2,1-2H3,(H,27,32);2-11,29H,12H2,1H3;2*3-14H,1-2H3,(H,23,25)/t;;;2*14-/m...10/s1
• InChIKey: BFYHQUQQSUYRTN-ZTLBLROBSA-N
• XLogP: 19.69
• TPSA: 469.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.30
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (CID 157337003) is 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is COc1ccc2c(OCc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC(C)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(O)c(F)c5)nn34)ccnc2c1.COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(N[C@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The InChIKey is BFYHQUQQSUYRTN-ZTLBLROBSA-N. The full InChI is InChI=1S/C26H23N5O4S.C24H19FN6O3.C22H16FN5O3.2C22H19N7O/c1-33-18-2-3-19-21(14-18)27-9-8-22(19)35-16-17-15-28-25-7-4-20(29-31(17)25)23-5-6-24(36-23)26(32)30-10-12-34-13-11-30;1-14(32)27-20-6-3-15(11-18(20)25)19-7-8-23-28-29-24(31(23)30-19)13-34-22-9-10-26-21-12-16(33-2)4-5-17(21)22;1-30-14-3-4-15-18(11-14)24-9-8-20(15)31-12-22-26-25-21-7-5-17(27-28(21)22)13-2-6-19(29)16(23)10-13;2*1-14(25-18-10-11-23-19-12-16(30-2)13-24-21(18)19)22-27-26-20-9-8-17(28-29(20)22)15-6-4-3-5-7-15/h2-9,14-15H,10-13,16H2,1H3;3-12H,13H2,1-2H3,(H,27,32);2-11,29H,12H2,1H3;2*3-14H,1-2H3,(H,23,25)/t;;;2*14-/m...10/s1.

What are the key properties of 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 2172.30 g/mol, XLogP of 19.69, 27 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 157337003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).