2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine

C96H97N17O3 — CID 157102196

IUPAC2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine
SMILESC=C(Cc1nc2cccc(-c3ccc(C(=O)O)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)cc3)n2n1)C1CCCC1.C=C(Cc1nc2cccc(-c3cccc(N)c3)n2n1)C1CC1
InChIInChI=1S/C21H23N3O.C19H20N4.C19H17N3O2.C19H19N3.C18H18N4/c1-15(16-6-3-4-7-16)14-20-22-21-9-5-8-19(24(21)23-20)17-10-12-18(25-2)13-11-17;1-13(15-9-10-15)11-18-21-19-4-2-3-17(23(19)22-18)16-7-5-14(12-20)6-8-16;1-12(13-5-6-13)11-17-20-18-4-2-3-16(22(18)21-17)14-7-9-15(10-8-14)19(23)24;1-13-6-8-16(9-7-13)17-4-3-5-19-20-18(21-22(17)19)12-14(2)15-10-11-15;1-12(13-8-9-13)10-17-20-18-7-3-6-16(22(18)21-17)14-4-2-5-15(19)11-14/h5,8-13,16H,1,3-4,6-7,14H2,2H3;2-8,15H,1,9-12,20H2;2-4,7-10,13H,1,5-6,11H2,(H,23,24);3-9,15H,2,10-12H2,1H3;2-7,11,13H,1,8-10,19H2
InChIKeyAFWVMLMXVRKJDN-UHFFFAOYSA-N
MW1536.95 g/mol
LogP19.36
Rot. Bonds23

About 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine

2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine (PubChem CID 157102196) has the molecular formula C96H97N17O3 and a molecular weight of 1536.95 g/mol. Its IUPAC name is 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine
PubChem CID157102196
Molecular FormulaC96H97N17O3
Molecular Weight1536.95 g/mol
Exact Mass1535.80
IUPAC Name2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine
SMILESC=C(Cc1nc2cccc(-c3ccc(C(=O)O)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)cc3)n2n1)C1CCCC1.C=C(Cc1nc2cccc(-c3cccc(N)c3)n2n1)C1CC1
InChIInChI=1S/C21H23N3O.C19H20N4.C19H17N3O2.C19H19N3.C18H18N4/c1-15(16-6-3-4-7-16)14-20-22-21-9-5-8-19(24(21)23-20)17-10-12-18(25-2)13-11-17;1-13(15-9-10-15)11-18-21-19-4-2-3-17(23(19)22-18)16-7-5-14(12-20)6-8-16;1-12(13-5-6-13)11-17-20-18-4-2-3-16(22(18)21-17)14-7-9-15(10-8-14)19(23)24;1-13-6-8-16(9-7-13)17-4-3-5-19-20-18(21-22(17)19)12-14(2)15-10-11-15;1-12(13-8-9-13)10-17-20-18-7-3-6-16(22(18)21-17)14-4-2-5-15(19)11-14/h5,8-13,16H,1,3-4,6-7,14H2,2H3;2-8,15H,1,9-12,20H2;2-4,7-10,13H,1,5-6,11H2,(H,23,24);3-9,15H,2,10-12H2,1H3;2-7,11,13H,1,8-10,19H2
InChIKeyAFWVMLMXVRKJDN-UHFFFAOYSA-N
XLogP19.36
TPSA249.52 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001536.95
LogP ≤ 519.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine with MolForge

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Related Compounds

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
tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]piperazine-1-carboxylate;5-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine;3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N,N-dimethylpropan-1-amine;1-[3-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]ethanone;4-[3-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]propyl]morpholine
CID 157309715
Ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(3-piperidin-1-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 157316269
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
N,N-diethyl-2-[2-(4-hydroxy-3-iodophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[2-(4-hydroxy-3-(125I)iodophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[2-(4-hydroxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[2-(3-iodo-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[2-(3-(125I)iodo-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide;methyl 4-(hydroxymethyl)benzoate
CID 157713115
2-(2-cyclopropylprop-2-enyl)-5-(3-fluoro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dimethylaniline;N-[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]acetamide;methyl 4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoate
CID 158217803
2-[2-(Cyclopropylmethyl)prop-2-enyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-ethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(4-methoxyphenyl)-2-(2-methylidenebutyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(4-methoxyphenyl)-2-(2-methylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 159664612
ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-1-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[5,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 159714212
N'-(3-benzyl-7-methyl-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine;3-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide;methyl 3-[(3-hydroxyphenyl)methyl]-1-(4-pyrrolidin-1-ylbutylamino)-5H-indeno[1,2-c]pyridine-7-carboxylate;methyl 3-[(3-methoxyphenyl)methyl]-1-(4-pyrrolidin-1-ylbutylamino)-5H-indeno[1,2-c]pyridine-7-carboxylate
CID 160471051
Ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethynyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 160604810
Ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-piperidin-1-ylethylamino)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 161098714
Ethyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(2-phenylethyl)pyrazolo[3,4-b]pyridine-4-carboxylate;ethyl 3-methyl-2-[(4-phenoxyphenyl)methyl]-6-(3-piperidin-1-ylpropyl)pyrazolo[3,4-b]pyridine-4-carboxylate;2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid;methyl 2-[[4-(4-fluorophenoxy)phenyl]methyl]-3-methyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylate;methyl 3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate;3-methyl-6-(4-methylphenyl)-2-[(4-phenoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 161404718

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine?
The IUPAC name of 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine (CID 157102196) is 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine.
What is the SMILES notation for 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine?
The canonical SMILES for 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine is C=C(Cc1nc2cccc(-c3ccc(C(=O)O)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(C)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(CN)cc3)n2n1)C1CC1.C=C(Cc1nc2cccc(-c3ccc(OC)cc3)n2n1)C1CCCC1.C=C(Cc1nc2cccc(-c3cccc(N)c3)n2n1)C1CC1.
What is the InChIKey of 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine?
The InChIKey is AFWVMLMXVRKJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.C19H20N4.C19H17N3O2.C19H19N3.C18H18N4/c1-15(16-6-3-4-7-16)14-20-22-21-9-5-8-19(24(21)23-20)17-10-12-18(25-2)13-11-17;1-13(15-9-10-15)11-18-21-19-4-2-3-17(23(19)22-18)16-7-5-14(12-20)6-8-16;1-12(13-5-6-13)11-17-20-18-4-2-3-16(22(18)21-17)14-7-9-15(10-8-14)19(23)24;1-13-6-8-16(9-7-13)17-4-3-5-19-20-18(21-22(17)19)12-14(2)15-10-11-15;1-12(13-8-9-13)10-17-20-18-7-3-6-16(22(18)21-17)14-4-2-5-15(19)11-14/h5,8-13,16H,1,3-4,6-7,14H2,2H3;2-8,15H,1,9-12,20H2;2-4,7-10,13H,1,5-6,11H2,(H,23,24);3-9,15H,2,10-12H2,1H3;2-7,11,13H,1,8-10,19H2.
What are the key properties of 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine?
2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine has a molecular weight of 1536.95 g/mol, XLogP of 19.36, 23 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylprop-2-enyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-(2-cyclopropylprop-2-enyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;3-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]aniline;4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid;[4-[2-(2-cyclopropylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methanamine is sourced from PubChem (CID 157102196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).