N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine

C111H115N17O9 — CID 159814207

IUPACN-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine
SMILESCCCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCCN5C(=O)c6ccccc6C5=O)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCN(C)C)c4)nn23)cc1.c1cc(-c2ccc(N3CCOCC3)cc2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C31H26N4O4.C30H35N5O.C25H27N5O2.C25H27N3O2/c1-38-23-16-12-22(13-17-23)27-8-4-9-29-32-28(33-35(27)29)20-21-10-14-24(15-11-21)39-19-5-18-34-30(36)25-6-2-3-7-26(25)31(34)37;1-2-17-33(16-1)18-4-5-24-8-10-25(11-9-24)23-29-31-30-7-3-6-28(35(30)32-29)26-12-14-27(15-13-26)34-19-21-36-22-20-34;1-29(2)15-14-26-25(31)20-7-4-6-18(16-20)17-23-27-24-9-5-8-22(30(24)28-23)19-10-12-21(32-3)13-11-19;1-3-4-5-17-30-22-13-9-19(10-14-22)18-24-26-25-8-6-7-23(28(25)27-24)20-11-15-21(29-2)16-12-20/h2-4,6-17H,5,18-20H2,1H3;3,6-15H,1-2,4-5,16-23H2;4-13,16H,14-15,17H2,1-3H3,(H,26,31);6-16H,3-5,17-18H2,1-2H3
InChIKeyNLKDTCWTBRTVGI-UHFFFAOYSA-N
MW1831.25 g/mol
LogP18.76
Rot. Bonds34

About N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine

N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine (PubChem CID 159814207) has the molecular formula C111H115N17O9 and a molecular weight of 1831.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine
PubChem CID159814207
Molecular FormulaC111H115N17O9
Molecular Weight1831.25 g/mol
Exact Mass1829.91
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine
SMILESCCCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCCN5C(=O)c6ccccc6C5=O)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCN(C)C)c4)nn23)cc1.c1cc(-c2ccc(N3CCOCC3)cc2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C31H26N4O4.C30H35N5O.C25H27N5O2.C25H27N3O2/c1-38-23-16-12-22(13-17-23)27-8-4-9-29-32-28(33-35(27)29)20-21-10-14-24(15-11-21)39-19-5-18-34-30(36)25-6-2-3-7-26(25)31(34)37;1-2-17-33(16-1)18-4-5-24-8-10-25(11-9-24)23-29-31-30-7-3-6-28(35(30)32-29)26-12-14-27(15-13-26)34-19-21-36-22-20-34;1-29(2)15-14-26-25(31)20-7-4-6-18(16-20)17-23-27-24-9-5-8-22(30(24)28-23)19-10-12-21(32-3)13-11-19;1-3-4-5-17-30-22-13-9-19(10-14-22)18-24-26-25-8-6-7-23(28(25)27-24)20-11-15-21(29-2)16-12-20/h2-4,6-17H,5,18-20H2,1H3;3,6-15H,1-2,4-5,16-23H2;4-13,16H,14-15,17H2,1-3H3,(H,26,31);6-16H,3-5,17-18H2,1-2H3
InChIKeyNLKDTCWTBRTVGI-UHFFFAOYSA-N
XLogP18.76
TPSA252.34 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.25
LogP ≤ 518.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine with MolForge

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Related Compounds

4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157294464
N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
N-(cyclohexylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157936275
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(4-fluoro-3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157938882
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158294318
CID 158333555
CID 158333555
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158380688
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-hydroxycyclohexyl)benzamide;[4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(4-hydroxypiperidin-1-yl)methanone;N,N-dimethyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158401161
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158439352

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine (CID 159814207) is N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine is CCCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4ccc(OCCCN5C(=O)c6ccccc6C5=O)cc4)nn23)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCN(C)C)c4)nn23)cc1.c1cc(-c2ccc(N3CCOCC3)cc2)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine?
The InChIKey is NLKDTCWTBRTVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O4.C30H35N5O.C25H27N5O2.C25H27N3O2/c1-38-23-16-12-22(13-17-23)27-8-4-9-29-32-28(33-35(27)29)20-21-10-14-24(15-11-21)39-19-5-18-34-30(36)25-6-2-3-7-26(25)31(34)37;1-2-17-33(16-1)18-4-5-24-8-10-25(11-9-24)23-29-31-30-7-3-6-28(35(30)32-29)26-12-14-27(15-13-26)34-19-21-36-22-20-34;1-29(2)15-14-26-25(31)20-7-4-6-18(16-20)17-23-27-24-9-5-8-22(30(24)28-23)19-10-12-21(32-3)13-11-19;1-3-4-5-17-30-22-13-9-19(10-14-22)18-24-26-25-8-6-7-23(28(25)27-24)20-11-15-21(29-2)16-12-20/h2-4,6-17H,5,18-20H2,1H3;3,6-15H,1-2,4-5,16-23H2;4-13,16H,14-15,17H2,1-3H3,(H,26,31);6-16H,3-5,17-18H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine?
N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine has a molecular weight of 1831.25 g/mol, XLogP of 18.76, 34 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide;5-(4-methoxyphenyl)-2-[(4-pentoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]propyl]isoindole-1,3-dione;4-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 159814207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).