2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide

C118H99FN28O9 — CID 157049945

IUPAC2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)ccc1F.CNC(=O)c1cccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(CCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C24H19FN6O3.C24H20N6O3.2C24H21N5O.C22H18N6O/c1-26-24(32)17-11-14(3-6-18(17)25)19-7-8-22-28-29-23(31(22)30-19)13-34-21-9-10-27-20-12-15(33-2)4-5-16(20)21;1-25-24(31)16-5-3-4-15(12-16)19-8-9-22-27-28-23(30(22)29-19)14-33-21-10-11-26-20-13-17(32-2)6-7-18(20)21;2*1-30-19-10-11-20-17(14-15-25-22(20)16-19)8-5-9-23-26-27-24-13-12-21(28-29(23)24)18-6-3-2-4-7-18;1-29-17-13-19-22(24-14-17)16(11-12-23-19)7-9-20-25-26-21-10-8-18(27-28(20)21)15-5-3-2-4-6-15/h3-12H,13H2,1-2H3,(H,26,32);3-13H,14H2,1-2H3,(H,25,31);2*2-4,6-7,10-16H,5,8-9H2,1H3;2-6,8,10-14H,7,9H2,1H3
InChIKeyAABQDWRLDXUOOO-UHFFFAOYSA-N
MW2072.27 g/mol
LogP19.29
Rot. Bonds29

About 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide

2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide (PubChem CID 157049945) has the molecular formula C118H99FN28O9 and a molecular weight of 2072.27 g/mol. Its IUPAC name is 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
PubChem CID157049945
Molecular FormulaC118H99FN28O9
Molecular Weight2072.27 g/mol
Exact Mass2070.81
IUPAC Name2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)ccc1F.CNC(=O)c1cccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(CCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C24H19FN6O3.C24H20N6O3.2C24H21N5O.C22H18N6O/c1-26-24(32)17-11-14(3-6-18(17)25)19-7-8-22-28-29-23(31(22)30-19)13-34-21-9-10-27-20-12-15(33-2)4-5-16(20)21;1-25-24(31)16-5-3-4-15(12-16)19-8-9-22-27-28-23(30(22)29-19)14-33-21-10-11-26-20-13-17(32-2)6-7-18(20)21;2*1-30-19-10-11-20-17(14-15-25-22(20)16-19)8-5-9-23-26-27-24-13-12-21(28-29(23)24)18-6-3-2-4-7-18;1-29-17-13-19-22(24-14-17)16(11-12-23-19)7-9-20-25-26-21-10-8-18(27-28(20)21)15-5-3-2-4-6-15/h3-12H,13H2,1-2H3,(H,26,32);3-13H,14H2,1-2H3,(H,25,31);2*2-4,6-7,10-16H,5,8-9H2,1H3;2-6,8,10-14H,7,9H2,1H3
InChIKeyAABQDWRLDXUOOO-UHFFFAOYSA-N
XLogP19.29
TPSA415.55 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.27
LogP ≤ 519.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
CID 25064305
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
(4-fluoro-3-pyridinyl)-[4-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinolin-7-yl]oxyphenyl]methanone
CID 58263825
[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl] N-methylcarbamate
CID 67954020
2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinoline;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline-7-carbonitrile
CID 160869031
2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 25067199
4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 24864824
1-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethylcarbamic acid
CID 123368575
7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 25066993
7-methoxy-4-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 25065754
7-(3-but-2-enoxyphenyl)-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 76749660
4-[[6-(2,3-dihydro-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,6-naphthyridine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylthiophene-2-carboxamide
CID 160897587

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide (CID 157049945) is 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide is CNC(=O)c1cc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)ccc1F.CNC(=O)c1cccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(CCCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(CCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The InChIKey is AABQDWRLDXUOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3.C24H20N6O3.2C24H21N5O.C22H18N6O/c1-26-24(32)17-11-14(3-6-18(17)25)19-7-8-22-28-29-23(31(22)30-19)13-34-21-9-10-27-20-12-15(33-2)4-5-16(20)21;1-25-24(31)16-5-3-4-15(12-16)19-8-9-22-27-28-23(30(22)29-19)14-33-21-10-11-26-20-13-17(32-2)6-7-18(20)21;2*1-30-19-10-11-20-17(14-15-25-22(20)16-19)8-5-9-23-26-27-24-13-12-21(28-29(23)24)18-6-3-2-4-7-18;1-29-17-13-19-22(24-14-17)16(11-12-23-19)7-9-20-25-26-21-10-8-18(27-28(20)21)15-5-3-2-4-6-15/h3-12H,13H2,1-2H3,(H,26,32);3-13H,14H2,1-2H3,(H,25,31);2*2-4,6-7,10-16H,5,8-9H2,1H3;2-6,8,10-14H,7,9H2,1H3.
What are the key properties of 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide has a molecular weight of 2072.27 g/mol, XLogP of 19.29, 29 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-methoxy-8-[2-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridine;bis(7-methoxy-4-[3-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propyl]quinoline);3-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 157049945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).