2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C166H170N46O11S — CID 161215212

IUPAC2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4nc(-c5ccccc5)no4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4ncc(-c5ccccc5)o4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnn(Cc5ccccc5)n4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnnn4Cc4ccccc4)CC3)nnc12.Cc1ccc(-c2csc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(-c2noc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1
InChIInChI=1S/C22H22N4OS.2C21H23N7O.C21H21N5O2.C21H20N4O2.2C20H21N7O.C20H19N5O2/c1-14-6-8-15(9-7-14)17-13-28-20(23-17)22(10-11-22)19-25-24-18-16(21(2,3)27)5-4-12-26(18)19;2*1-14-6-8-15(9-7-14)13-28-25-18(23-26-28)21(10-11-21)19-24-22-17-16(20(2,3)29)5-4-12-27(17)19;1-13-6-8-14(9-7-13)16-22-19(28-25-16)21(10-11-21)18-24-23-17-15(20(2,3)27)5-4-12-26(17)18;1-20(2,26)15-9-6-12-25-17(15)23-24-18(25)21(10-11-21)19-22-13-16(27-19)14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-23-18(26)20(10-11-20)17-22-25-27(24-17)13-14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-22-17(26)20(10-11-20)18-23-24-25-27(18)13-14-7-4-3-5-8-14;1-19(2,26)14-9-6-12-25-16(14)22-23-17(25)20(10-11-20)18-21-15(24-27-18)13-7-4-3-5-8-13/h4-9,12-13,27H,10-11H2,1-3H3;2*4-9,12,29H,10-11,13H2,1-3H3;4-9,12,27H,10-11H2,1-3H3;3-9,12-13,26H,10-11H2,1-2H3;2*3-9,12,28H,10-11,13H2,1-2H3;3-9,12,26H,10-11H2,1-2H3
InChIKeyUWTPMZZEPDCBER-UHFFFAOYSA-N
MW3017.56 g/mol
LogP23.54
Rot. Bonds36

About 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 161215212) has the molecular formula C166H170N46O11S and a molecular weight of 3017.56 g/mol. Its IUPAC name is 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID161215212
Molecular FormulaC166H170N46O11S
Molecular Weight3017.56 g/mol
Exact Mass3015.39
IUPAC Name2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4nc(-c5ccccc5)no4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4ncc(-c5ccccc5)o4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnn(Cc5ccccc5)n4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnnn4Cc4ccccc4)CC3)nnc12.Cc1ccc(-c2csc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(-c2noc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1
InChIInChI=1S/C22H22N4OS.2C21H23N7O.C21H21N5O2.C21H20N4O2.2C20H21N7O.C20H19N5O2/c1-14-6-8-15(9-7-14)17-13-28-20(23-17)22(10-11-22)19-25-24-18-16(21(2,3)27)5-4-12-26(18)19;2*1-14-6-8-15(9-7-14)13-28-25-18(23-26-28)21(10-11-21)19-24-22-17-16(20(2,3)29)5-4-12-27(17)19;1-13-6-8-14(9-7-13)16-22-19(28-25-16)21(10-11-21)18-24-23-17-15(20(2,3)27)5-4-12-26(17)18;1-20(2,26)15-9-6-12-25-17(15)23-24-18(25)21(10-11-21)19-22-13-16(27-19)14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-23-18(26)20(10-11-20)17-22-25-27(24-17)13-14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-22-17(26)20(10-11-20)18-23-24-25-27(18)13-14-7-4-3-5-8-14;1-19(2,26)14-9-6-12-25-16(14)22-23-17(25)20(10-11-20)18-21-15(24-27-18)13-7-4-3-5-8-13/h4-9,12-13,27H,10-11H2,1-3H3;2*4-9,12,29H,10-11,13H2,1-3H3;4-9,12,27H,10-11H2,1-3H3;3-9,12-13,26H,10-11H2,1-2H3;2*3-9,12,28H,10-11,13H2,1-2H3;3-9,12,26H,10-11H2,1-2H3
InChIKeyUWTPMZZEPDCBER-UHFFFAOYSA-N
XLogP23.54
TPSA694.52 Ų
H-Bond Donors8
H-Bond Acceptors58
Rotatable Bonds36
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003017.56
LogP ≤ 523.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1058

Analyze 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol with MolForge

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Related Compounds

2-[3-[1-[4-(2,4-Dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 90827028
2-[3-[1-(1-Benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-2-ol;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[3-[2-(4-methylphenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 157475709
2-[3-[1-(2-Benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);bis(2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 157628805
4-[5-(1-aminoisoquinolin-4-yl)-2-pyridinyl]-N'-hydroxybenzenecarboximidamide;4-[3-(8-amino-1,7-naphthyridin-5-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(8-amino-1,7-naphthyridin-5-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[2-(8-amino-1,7-naphthyridin-5-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide;4-[1-(2-aminoquinolin-4-yl)pyrazol-3-yl]-N'-hydroxybenzenecarboximidamide
CID 158022304
4-[(E)-2-(1-aminoisoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(1-aminoisoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(1-aminoisoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(1-aminoisoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(1-aminoisoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 159847423
2-[3-[1-(4-Chloro-3-prop-2-ynylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(1-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(4-ethyl-1,2,4-triazol-3-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(1-methylpyrrol-2-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 160785173
2-[4-[2-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[2-[(1S)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,3-oxazol-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-N-methyl-N-propyl-3H-isoindole-4-carboxamide;5-[2-[1-[4-(5-methoxy-3-pyridinyl)phenyl]-2-methylpropyl]-1,3-thiazol-5-yl]pyrimidin-2-amine;5-[4-[3-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-2-yl]phenyl]pyrimidin-2-amine
CID 160835581
4-[(E)-2-(2-aminoquinolin-4-yl)ethenyl]-N'-hydroxybenzenecarboximidamide;4-[3-(2-aminoquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3,4-oxadiazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[5-(2-aminoquinolin-4-yl)-1,3-oxazol-2-yl]-N'-hydroxybenzenecarboximidamide;4-[4-(2-aminoquinolin-4-yl)phenyl]-N'-hydroxybenzenecarboximidamide;4-[2-(2-aminoquinolin-4-yl)-1,3-thiazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 161885894

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 161215212) is 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4nc(-c5ccccc5)no4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4ncc(-c5ccccc5)o4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnn(Cc5ccccc5)n4)CC3)nnc12.CC(C)(O)c1cccn2c(C3(c4nnnn4Cc4ccccc4)CC3)nnc12.Cc1ccc(-c2csc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(-c2noc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.Cc1ccc(Cn2nnc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)n2)cc1.
What is the InChIKey of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is UWTPMZZEPDCBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS.2C21H23N7O.C21H21N5O2.C21H20N4O2.2C20H21N7O.C20H19N5O2/c1-14-6-8-15(9-7-14)17-13-28-20(23-17)22(10-11-22)19-25-24-18-16(21(2,3)27)5-4-12-26(18)19;2*1-14-6-8-15(9-7-14)13-28-25-18(23-26-28)21(10-11-21)19-24-22-17-16(20(2,3)29)5-4-12-27(17)19;1-13-6-8-14(9-7-13)16-22-19(28-25-16)21(10-11-21)18-24-23-17-15(20(2,3)27)5-4-12-26(17)18;1-20(2,26)15-9-6-12-25-17(15)23-24-18(25)21(10-11-21)19-22-13-16(27-19)14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-23-18(26)20(10-11-20)17-22-25-27(24-17)13-14-7-4-3-5-8-14;1-19(2,28)15-9-6-12-26-16(15)21-22-17(26)20(10-11-20)18-23-24-25-27(18)13-14-7-4-3-5-8-14;1-19(2,26)14-9-6-12-25-16(14)22-23-17(25)20(10-11-20)18-21-15(24-27-18)13-7-4-3-5-8-13/h4-9,12-13,27H,10-11H2,1-3H3;2*4-9,12,29H,10-11,13H2,1-3H3;4-9,12,27H,10-11H2,1-3H3;3-9,12-13,26H,10-11H2,1-2H3;2*3-9,12,28H,10-11,13H2,1-2H3;3-9,12,26H,10-11H2,1-2H3.
What are the key properties of 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 3017.56 g/mol, XLogP of 23.54, 36 rotatable bonds, 8 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(2-benzyltetrazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;bis(2-[3-[1-[2-[(4-methylphenyl)methyl]tetrazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);2-[3-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[1-(5-phenyl-1,3-oxazol-2-yl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 161215212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).