N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

C119H113FN32O11S — CID 158054296

About N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone

N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 158054296) has the molecular formula C119H113FN32O11S and a molecular weight of 2218.49 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
• PubChem CID: 158054296
• Molecular Formula: C119H113FN32O11S
• Molecular Weight: 2218.49 g/mol
• Exact Mass: 2216.90
• IUPAC Name: N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
• SMILES: C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC(C)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ncnc2c1.COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(N[C@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C25H22N6O4S.C24H19FN6O3.2C22H19N7O.C22H18N6O2.4CH4/c1-33-16-2-3-17-19(14-16)26-9-8-20(17)35-15-24-28-27-23-7-4-18(29-31(23)24)21-5-6-22(36-21)25(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;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;1-14(30-22-17-9-8-16(29-2)12-19(17)23-13-24-22)21-26-25-20-11-10-18(27-28(20)21)15-6-4-3-5-7-15;;;;/h2-9,14H,10-13,15H2,1H3;3-12H,13H2,1-2H3,(H,27,32);2*3-14H,1-2H3,(H,23,25);3-14H,1-2H3;4*1H4/t;;3*14-;;;;/m..100..../s1
• InChIKey: FJVXFPJGIKEGIY-WPHPVQSBSA-N
• XLogP: 21.75
• TPSA: 475.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2218.49
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The IUPAC name of N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone (CID 158054296) is N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The canonical SMILES for N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(=O)N6CCOCC6)s5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(NC(C)=O)c(F)c5)nn34)ccnc2c1.COc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ncnc2c1.COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(N[C@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

The InChIKey is FJVXFPJGIKEGIY-WPHPVQSBSA-N. The full InChI is InChI=1S/C25H22N6O4S.C24H19FN6O3.2C22H19N7O.C22H18N6O2.4CH4/c1-33-16-2-3-17-19(14-16)26-9-8-20(17)35-15-24-28-27-23-7-4-18(29-31(23)24)21-5-6-22(36-21)25(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;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;1-14(30-22-17-9-8-16(29-2)12-19(17)23-13-24-22)21-26-25-20-11-10-18(27-28(20)21)15-6-4-3-5-7-15;;;;/h2-9,14H,10-13,15H2,1H3;3-12H,13H2,1-2H3,(H,27,32);2*3-14H,1-2H3,(H,23,25);3-14H,1-2H3;4*1H4/t;;3*14-;;;;/m..100..../s1.

What are the key properties of N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone?

N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 2218.49 g/mol, XLogP of 21.75, 27 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;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]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158054296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).