2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide

C98H98N14O9 — CID 157430764

IUPAC2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide
SMILESCCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.CCOC(=O)c1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCO)c4)nn23)cc1.c1cc(-c2ccc3c(c2)CCO3)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H30N4O.C24H25N3O2.C23H22N4O3.C23H21N3O3/c1-2-16-31(15-1)17-4-5-21-8-10-22(11-9-21)19-27-29-28-7-3-6-25(32(28)30-27)23-12-13-26-24(20-23)14-18-33-26;1-3-4-16-29-21-12-8-18(9-13-21)17-23-25-24-7-5-6-22(27(24)26-23)19-10-14-20(28-2)15-11-19;1-30-19-10-8-17(9-11-19)20-6-3-7-22-25-21(26-27(20)22)15-16-4-2-5-18(14-16)23(29)24-12-13-28;1-3-29-23(27)18-9-7-16(8-10-18)15-21-24-22-6-4-5-20(26(22)25-21)17-11-13-19(28-2)14-12-17/h3,6-13,20H,1-2,4-5,14-19H2;5-15H,3-4,16-17H2,1-2H3;2-11,14,28H,12-13,15H2,1H3,(H,24,29);4-14H,3,15H2,1-2H3
InChIKeyBQMSZJWTZAZSNB-UHFFFAOYSA-N
MW1615.95 g/mol
LogP17.02
Rot. Bonds28

About 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide

2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide (PubChem CID 157430764) has the molecular formula C98H98N14O9 and a molecular weight of 1615.95 g/mol. Its IUPAC name is 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide
PubChem CID157430764
Molecular FormulaC98H98N14O9
Molecular Weight1615.95 g/mol
Exact Mass1614.76
IUPAC Name2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide
SMILESCCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.CCOC(=O)c1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCO)c4)nn23)cc1.c1cc(-c2ccc3c(c2)CCO3)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H30N4O.C24H25N3O2.C23H22N4O3.C23H21N3O3/c1-2-16-31(15-1)17-4-5-21-8-10-22(11-9-21)19-27-29-28-7-3-6-25(32(28)30-27)23-12-13-26-24(20-23)14-18-33-26;1-3-4-16-29-21-12-8-18(9-13-21)17-23-25-24-7-5-6-22(27(24)26-23)19-10-14-20(28-2)15-11-19;1-30-19-10-8-17(9-11-19)20-6-3-7-22-25-21(26-27(20)22)15-16-4-2-5-18(14-16)23(29)24-12-13-28;1-3-29-23(27)18-9-7-16(8-10-18)15-21-24-22-6-4-5-20(26(22)25-21)17-11-13-19(28-2)14-12-17/h3,6-13,20H,1-2,4-5,14-19H2;5-15H,3-4,16-17H2,1-2H3;2-11,14,28H,12-13,15H2,1H3,(H,24,29);4-14H,3,15H2,1-2H3
InChIKeyBQMSZJWTZAZSNB-UHFFFAOYSA-N
XLogP17.02
TPSA245.78 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.95
LogP ≤ 517.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[5-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide;N-[5-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106929
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-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[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-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158838612
N-(2-amino-2-methylpropyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159056303
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 159182843
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[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-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159279284
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;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
CID 160619567
(3E)-3-[[7-(cyclopropylamino)-5-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(3-hydroxypropoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;(3E)-3-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;methyl 3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
CID 160854298
3-(1,1-Difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxylic acid;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol
CID 160945241
N,N-diethyl-2-[7-(furan-2-yl)-5-methyl-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[5-(furan-2-yl)-2-(4-propoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[5-methyl-7-phenyl-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[7-methyl-5-phenyl-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 161351188
2-Cyclohexyl-1-[6-(cyclohexylmethoxy)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-morpholin-4-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(3-morpholin-4-ylpropoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(2-pyrrolidin-1-ylethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;2-cyclohexyl-1-[1-methyl-6-(pyrrolidin-2-ylmethoxy)pyrazolo[5,4-b]pyridin-3-yl]ethanone;hexakis(2,2,2-trifluoroacetic acid)
CID 161524335
N-(2-amino-2-methylpropyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;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
CID 161552552

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide?
The IUPAC name of 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide (CID 157430764) is 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide is CCCCOc1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.CCOC(=O)c1ccc(Cc2nc3cccc(-c4ccc(OC)cc4)n3n2)cc1.COc1ccc(-c2cccc3nc(Cc4cccc(C(=O)NCCO)c4)nn23)cc1.c1cc(-c2ccc3c(c2)CCO3)n2nc(Cc3ccc(CCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide?
The InChIKey is BQMSZJWTZAZSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O.C24H25N3O2.C23H22N4O3.C23H21N3O3/c1-2-16-31(15-1)17-4-5-21-8-10-22(11-9-21)19-27-29-28-7-3-6-25(32(28)30-27)23-12-13-26-24(20-23)14-18-33-26;1-3-4-16-29-21-12-8-18(9-13-21)17-23-25-24-7-5-6-22(27(24)26-23)19-10-14-20(28-2)15-11-19;1-30-19-10-8-17(9-11-19)20-6-3-7-22-25-21(26-27(20)22)15-16-4-2-5-18(14-16)23(29)24-12-13-28;1-3-29-23(27)18-9-7-16(8-10-18)15-21-24-22-6-4-5-20(26(22)25-21)17-11-13-19(28-2)14-12-17/h3,6-13,20H,1-2,4-5,14-19H2;5-15H,3-4,16-17H2,1-2H3;2-11,14,28H,12-13,15H2,1H3,(H,24,29);4-14H,3,15H2,1-2H3.
What are the key properties of 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide?
2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide has a molecular weight of 1615.95 g/mol, XLogP of 17.02, 28 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxyphenyl)methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;ethyl 4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzoate;N-(2-hydroxyethyl)-3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]benzamide is sourced from PubChem (CID 157430764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).