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

C151H134ClN35O18 — CID 167633241

About 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

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 (PubChem CID 167633241) has the molecular formula C151H134ClN35O18 and a molecular weight of 2762.41 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167633241
• Molecular Formula: C151H134ClN35O18
• Molecular Weight: 2762.41 g/mol
• Exact Mass: 2760.03
• IUPAC Name: 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
• SMILES: COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)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.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cl
• InChI: InChI=1S/C24H18N4O3.C19H19N7O2.C18H16N4O3.5C18H16N4O2.ClH/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;1-12-2-4-13(5-3-12)17-24-25-19(28-17)23-18-21-14-10-20-11-15(16(14)22-18)26-6-8-27-9-7-26;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;4*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;2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);2-7,23H,8-10H2,1H3;5*3-8H,9-10H2,1-2H3;1H
• InChIKey: HPGKXKQHBZMUCF-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 648.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 52
• Rotatable Bonds: 33
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2762.41
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)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.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cl.

What is the InChIKey of 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?

The InChIKey is HPGKXKQHBZMUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3.C19H19N7O2.C18H16N4O3.5C18H16N4O2.ClH/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;1-12-2-4-13(5-3-12)17-24-25-19(28-17)23-18-21-14-10-20-11-15(16(14)22-18)26-6-8-27-9-7-26;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;4*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;2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);2-7,23H,8-10H2,1H3;5*3-8H,9-10H2,1-2H3;1H.

What are the key properties of 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?

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 has a molecular weight of 2762.41 g/mol, XLogP of 27.13, 33 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167633241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).