6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane

C92H70F4N24O4 — CID 161480437

IUPAC6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane
SMILESC.CN.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.O=C(O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/2C23H17FN6O.C22H13FN6.C22H14FN5O2.CH5N.CH4/c2*1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;23-18-10-15(4-5-17(18)21(29)30)20-12-26-22-25-11-16(28(22)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19;1-2;/h2*2-9,11-13H,10H2,1H3,(H,25,31);2-9,11-13H,10H2;1-8,10-12H,9H2,(H,29,30);2H2,1H3;1H4
InChIKeyWEHBMCNRAAWSNQ-UHFFFAOYSA-N
MW1651.73 g/mol
LogP15.46
Rot. Bonds15

About 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane

6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane (PubChem CID 161480437) has the molecular formula C92H70F4N24O4 and a molecular weight of 1651.73 g/mol. Its IUPAC name is 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane.

Molecular Properties

Compound Name6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane
PubChem CID161480437
Molecular FormulaC92H70F4N24O4
Molecular Weight1651.73 g/mol
Exact Mass1650.59
IUPAC Name6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane
SMILESC.CN.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.O=C(O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/2C23H17FN6O.C22H13FN6.C22H14FN5O2.CH5N.CH4/c2*1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;23-18-10-15(4-5-17(18)21(29)30)20-12-26-22-25-11-16(28(22)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19;1-2;/h2*2-9,11-13H,10H2,1H3,(H,25,31);2-9,11-13H,10H2;1-8,10-12H,9H2,(H,29,30);2H2,1H3;1H4
InChIKeyWEHBMCNRAAWSNQ-UHFFFAOYSA-N
XLogP15.46
TPSA349.76 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.73
LogP ≤ 515.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane with MolForge

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

Launch Full Analysis

Related Compounds

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzoic acid dihydrochloride
CID 67027449
Cmc-583
CID 57971177
2-Fluoro-4-[7-(1-quinolin-6-ylethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
CID 67223890
4-[4-[4-[5-[[3-[[4-[4-[4-[5-[(4-Fluorophenyl)-hydroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide
CID 123843477
bis(2-[4-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone);tert-butyl N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]carbamate;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
CID 157923200
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158488568
5-Ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylic acid
CID 158803356
(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160040955
5-Ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,4-dimethylcyclopentene-1-carboxylate
CID 160222628
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 161713572
4-[4-[4-[5-[[3-[[4-[4-[4-[5-[(R)-(4-fluorophenyl)-hydroxymethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]phenyl]methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzamide
CID 164125968
6-[[2-[3-Fluoro-4-(methylcarbamoyl)phenyl]imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline-3-carboxylic acid
CID 172509870

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane?
The IUPAC name of 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane (CID 161480437) is 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane.
What is the SMILES notation for 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane?
The canonical SMILES for 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane is C.CN.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.O=C(O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane?
The InChIKey is WEHBMCNRAAWSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17FN6O.C22H13FN6.C22H14FN5O2.CH5N.CH4/c2*1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20;1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;23-18-10-15(4-5-17(18)21(29)30)20-12-26-22-25-11-16(28(22)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19;1-2;/h2*2-9,11-13H,10H2,1H3,(H,25,31);2-9,11-13H,10H2;1-8,10-12H,9H2,(H,29,30);2H2,1H3;1H4.
What are the key properties of 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane?
6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane has a molecular weight of 1651.73 g/mol, XLogP of 15.46, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;bis(2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide);2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;methanamine;methane is sourced from PubChem (CID 161480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).