2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride

C176H155Cl2N37O23 — CID 167537623

IUPAC2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride
SMILESCOc1cc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)ccc1C.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(C)cc4)o2)=N3)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3cccc(C)c3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1.Cl.Cl
InChIInChI=1S/C24H18N4O3.C24H20N4O2.C19H19N5O2.C19H18N4O3.C18H14N4O4.C18H16N4O3.3C18H16N4O2.2ClH/c1-14-2-4-15(5-3-14)24-28-27-22(31-24)12-17-11-18-19(26-17)8-9-25-23(18)16-6-7-20-21(10-16)30-13-29-20;1-15-6-8-16(9-7-15)24-28-27-22(30-24)14-18-13-20-21(26-18)10-11-25-23(20)17-4-3-5-19(12-17)29-2;1-24(2)15-6-4-12(5-7-15)18-23-22-16(26-18)11-14-10-13-8-9-20-19(25-3)17(13)21-14;1-11-4-5-13(9-15(11)24-2)18-23-22-16(26-18)10-14-8-12-6-7-20-19(25-3)17(12)21-14;1-23-18-16-10(4-5-19-18)6-12(20-16)8-15-21-22-17(26-15)11-2-3-13-14(7-11)25-9-24-13;1-24-18-16-11(6-7-19-18)8-13(20-16)9-15-21-22-17(25-15)14-5-3-2-4-12(14)10-23;2*1-11-3-5-12(6-4-11)17-22-21-15(24-17)10-14-9-13-7-8-19-18(23-2)16(13)20-14;1-11-4-3-5-13(8-11)17-22-21-15(24-17)10-14-9-12-6-7-19-18(23-2)16(12)20-14;;/h2-10H,11-13H2,1H3;3-12H,13-14H2,1-2H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;2-7,23H,8-10H2,1H3;3*3-8H,9-10H2,1-2H3;2*1H
InChIKeyQMSUSIVFXMYIAO-UHFFFAOYSA-N
MW3227.32 g/mol
LogP32.15
Rot. Bonds40

About 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride

2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride (PubChem CID 167537623) has the molecular formula C176H155Cl2N37O23 and a molecular weight of 3227.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride
PubChem CID167537623
Molecular FormulaC176H155Cl2N37O23
Molecular Weight3227.32 g/mol
Exact Mass3224.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride
SMILESCOc1cc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)ccc1C.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(C)cc4)o2)=N3)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3cccc(C)c3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1.Cl.Cl
InChIInChI=1S/C24H18N4O3.C24H20N4O2.C19H19N5O2.C19H18N4O3.C18H14N4O4.C18H16N4O3.3C18H16N4O2.2ClH/c1-14-2-4-15(5-3-14)24-28-27-22(31-24)12-17-11-18-19(26-17)8-9-25-23(18)16-6-7-20-21(10-16)30-13-29-20;1-15-6-8-16(9-7-15)24-28-27-22(30-24)14-18-13-20-21(26-18)10-11-25-23(20)17-4-3-5-19(12-17)29-2;1-24(2)15-6-4-12(5-7-15)18-23-22-16(26-18)11-14-10-13-8-9-20-19(25-3)17(13)21-14;1-11-4-5-13(9-15(11)24-2)18-23-22-16(26-18)10-14-8-12-6-7-20-19(25-3)17(12)21-14;1-23-18-16-10(4-5-19-18)6-12(20-16)8-15-21-22-17(26-15)11-2-3-13-14(7-11)25-9-24-13;1-24-18-16-11(6-7-19-18)8-13(20-16)9-15-21-22-17(25-15)14-5-3-2-4-12(14)10-23;2*1-11-3-5-12(6-4-11)17-22-21-15(24-17)10-14-9-13-7-8-19-18(23-2)16(13)20-14;1-11-4-3-5-13(8-11)17-22-21-15(24-17)10-14-9-12-6-7-19-18(23-2)16(12)20-14;;/h2-10H,11-13H2,1H3;3-12H,13-14H2,1-2H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;2-7,23H,8-10H2,1H3;3*3-8H,9-10H2,1-2H3;2*1H
InChIKeyQMSUSIVFXMYIAO-UHFFFAOYSA-N
XLogP32.15
TPSA720.99 Ų
H-Bond Donors1
H-Bond Acceptors60
Rotatable Bonds40
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003227.32
LogP ≤ 532.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1060

Analyze 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;hydrochloride
CID 167566119
2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(3,4-dimethoxyphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;2-(3-methoxyphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride
CID 167603859
2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-chlorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(3,4-dimethoxyphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;2-(3-methoxyphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride
CID 167618293
2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;tetrakis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 167633241
2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;hydrochloride
CID 167707472

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride (CID 167537623) is 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride is COc1cc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)ccc1C.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(C)cc4)o2)=N3)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3cccc(C)c3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1.Cl.Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride?
The InChIKey is QMSUSIVFXMYIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3.C24H20N4O2.C19H19N5O2.C19H18N4O3.C18H14N4O4.C18H16N4O3.3C18H16N4O2.2ClH/c1-14-2-4-15(5-3-14)24-28-27-22(31-24)12-17-11-18-19(26-17)8-9-25-23(18)16-6-7-20-21(10-16)30-13-29-20;1-15-6-8-16(9-7-15)24-28-27-22(30-24)14-18-13-20-21(26-18)10-11-25-23(20)17-4-3-5-19(12-17)29-2;1-24(2)15-6-4-12(5-7-15)18-23-22-16(26-18)11-14-10-13-8-9-20-19(25-3)17(13)21-14;1-11-4-5-13(9-15(11)24-2)18-23-22-16(26-18)10-14-8-12-6-7-20-19(25-3)17(12)21-14;1-23-18-16-10(4-5-19-18)6-12(20-16)8-15-21-22-17(26-15)11-2-3-13-14(7-11)25-9-24-13;1-24-18-16-11(6-7-19-18)8-13(20-16)9-15-21-22-17(25-15)14-5-3-2-4-12(14)10-23;2*1-11-3-5-12(6-4-11)17-22-21-15(24-17)10-14-9-13-7-8-19-18(23-2)16(13)20-14;1-11-4-3-5-13(8-11)17-22-21-15(24-17)10-14-9-12-6-7-19-18(23-2)16(12)20-14;;/h2-10H,11-13H2,1H3;3-12H,13-14H2,1-2H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;2-7,23H,8-10H2,1H3;3*3-8H,9-10H2,1-2H3;2*1H.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride?
2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride has a molecular weight of 3227.32 g/mol, XLogP of 32.15, 40 rotatable bonds, 1 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(1,3-benzodioxol-5-yl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(3-methoxy-4-methylphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);4-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline;[2-[5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]phenyl]methanol;dihydrochloride is sourced from PubChem (CID 167537623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).