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

C173H146Cl3F2N37O25 — CID 167618293

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-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
SMILESCOc1ccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)cc1OC.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(F)cc4)o2)=N3)c1.COc1cccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(Cl)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cl.Cl.Fc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1
InChIInChI=1S/C23H15FN4O3.C23H17FN4O2.C19H19N5O2.C19H18N4O4.C18H14N4O4.2C18H16N4O3.C18H16N4O2.C17H13ClN4O2.2ClH/c24-15-4-1-13(2-5-15)23-28-27-21(31-23)11-16-10-17-18(26-16)7-8-25-22(17)14-3-6-19-20(9-14)30-12-29-19;1-29-18-4-2-3-15(11-18)22-19-12-17(26-20(19)9-10-25-22)13-21-27-28-23(30-21)14-5-7-16(24)8-6-14;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;1-24-14-5-4-12(9-15(14)25-2)18-23-22-16(27-18)10-13-8-11-6-7-20-19(26-3)17(11)21-13;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;1-23-14-5-3-4-12(9-14)17-22-21-15(25-17)10-13-8-11-6-7-19-18(24-2)16(11)20-13;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;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;1-23-17-15-11(6-7-19-17)8-13(20-15)9-14-21-22-16(24-14)10-2-4-12(18)5-3-10;;/h1-9H,10-12H2;2-11H,12-13H2,1H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;3-7,9H,8,10H2,1-2H3;2-7,23H,8-10H2,1H3;3-8H,9-10H2,1-2H3;2-7H,8-9H2,1H3;2*1H
InChIKeyANJHQXVDWLDWDM-UHFFFAOYSA-N
MW3287.66 g/mol
LogP31.55
Rot. Bonds42

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-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

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 (PubChem CID 167618293) has the molecular formula C173H146Cl3F2N37O25 and a molecular weight of 3287.66 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-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.

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-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
PubChem CID167618293
Molecular FormulaC173H146Cl3F2N37O25
Molecular Weight3287.66 g/mol
Exact Mass3284.03
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-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
SMILESCOc1ccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)cc1OC.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(F)cc4)o2)=N3)c1.COc1cccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(Cl)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cl.Cl.Fc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1
InChIInChI=1S/C23H15FN4O3.C23H17FN4O2.C19H19N5O2.C19H18N4O4.C18H14N4O4.2C18H16N4O3.C18H16N4O2.C17H13ClN4O2.2ClH/c24-15-4-1-13(2-5-15)23-28-27-21(31-23)11-16-10-17-18(26-16)7-8-25-22(17)14-3-6-19-20(9-14)30-12-29-19;1-29-18-4-2-3-15(11-18)22-19-12-17(26-20(19)9-10-25-22)13-21-27-28-23(30-21)14-5-7-16(24)8-6-14;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;1-24-14-5-4-12(9-15(14)25-2)18-23-22-16(27-18)10-13-8-11-6-7-20-19(26-3)17(11)21-13;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;1-23-14-5-3-4-12(9-14)17-22-21-15(25-17)10-13-8-11-6-7-19-18(24-2)16(11)20-13;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;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;1-23-17-15-11(6-7-19-17)8-13(20-15)9-14-21-22-16(24-14)10-2-4-12(18)5-3-10;;/h1-9H,10-12H2;2-11H,12-13H2,1H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;3-7,9H,8,10H2,1-2H3;2-7,23H,8-10H2,1H3;3-8H,9-10H2,1-2H3;2-7H,8-9H2,1H3;2*1H
InChIKeyANJHQXVDWLDWDM-UHFFFAOYSA-N
XLogP31.55
TPSA739.45 Ų
H-Bond Donors1
H-Bond Acceptors62
Rotatable Bonds42
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003287.66
LogP ≤ 531.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1062

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-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 with MolForge

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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-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?
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-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) 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-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.
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-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?
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-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 is COc1ccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)cc1OC.COc1cccc(-c2nccc3c2CC(Cc2nnc(-c4ccc(F)cc4)o2)=N3)c1.COc1cccc(-c2nnc(CC3=Nc4c(ccnc4OC)C3)o2)c1.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(Cl)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(N(C)C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc4c(c3)OCO4)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccccc3CO)o1)C2.Cl.Cl.Fc1ccc(-c2nnc(CC3=Nc4ccnc(-c5ccc6c(c5)OCO6)c4C3)o2)cc1.
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-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?
The InChIKey is ANJHQXVDWLDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3.C23H17FN4O2.C19H19N5O2.C19H18N4O4.C18H14N4O4.2C18H16N4O3.C18H16N4O2.C17H13ClN4O2.2ClH/c24-15-4-1-13(2-5-15)23-28-27-21(31-23)11-16-10-17-18(26-16)7-8-25-22(17)14-3-6-19-20(9-14)30-12-29-19;1-29-18-4-2-3-15(11-18)22-19-12-17(26-20(19)9-10-25-22)13-21-27-28-23(30-21)14-5-7-16(24)8-6-14;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;1-24-14-5-4-12(9-15(14)25-2)18-23-22-16(27-18)10-13-8-11-6-7-20-19(26-3)17(11)21-13;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;1-23-14-5-3-4-12(9-14)17-22-21-15(25-17)10-13-8-11-6-7-19-18(24-2)16(11)20-13;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;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;1-23-17-15-11(6-7-19-17)8-13(20-15)9-14-21-22-16(24-14)10-2-4-12(18)5-3-10;;/h1-9H,10-12H2;2-11H,12-13H2,1H3;4-9H,10-11H2,1-3H3;4-7,9H,8,10H2,1-3H3;2-5,7H,6,8-9H2,1H3;3-7,9H,8,10H2,1-2H3;2-7,23H,8-10H2,1H3;3-8H,9-10H2,1-2H3;2-7H,8-9H2,1H3;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-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?
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 has a molecular weight of 3287.66 g/mol, XLogP of 31.55, 42 rotatable bonds, 1 hydrogen bond donors, and 62 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-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 is sourced from PubChem (CID 167618293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).