2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride

C159H150ClN37O17S — CID 167677239

About 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride

2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride (PubChem CID 167677239) has the molecular formula C159H150ClN37O17S and a molecular weight of 2918.71 g/mol. Its IUPAC name is 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride.

Molecular Properties

• Compound Name: 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride
• PubChem CID: 167677239
• Molecular Formula: C159H150ClN37O17S
• Molecular Weight: 2918.71 g/mol
• Exact Mass: 2916.14
• IUPAC Name: 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride
• SMILES: 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(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(N5CCC(C)CC5)cc4C3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cl.O=S=O
• InChI: InChI=1S/C24H20N4O2.C23H25N5O.C21H21N5O2.C19H19N7O2.4C18H16N4O2.ClH.O2S/c1-15-6-8-16(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;1-15-3-5-17(6-4-15)23-27-26-22(29-23)13-19-11-18-12-21(24-14-20(18)25-19)28-9-7-16(2)8-10-28;1-14-2-4-15(5-3-14)21-25-24-19(28-21)13-16-12-17-18(23-16)6-7-22-20(17)26-8-10-27-11-9-26;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;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;;1-3-2/h3-12H,13-14H2,1-2H3;3-6,12,14,16H,7-11,13H2,1-2H3;2-7H,8-13H2,1H3;2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);4*3-8H,9-10H2,1-2H3;1H
• InChIKey: BGVGTNIRLBAYLU-UHFFFAOYSA-N
• XLogP: 28.61
• TPSA: 650.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 53
• Rotatable Bonds: 33
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2918.71
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride?

The IUPAC name of 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride (CID 167677239) is 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride.

What is the SMILES notation for 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride?

The canonical SMILES for 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride is 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(C)cc3)o1)C2.COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(N5CCC(C)CC5)cc4C3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cl.O=S=O.

What is the InChIKey of 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride?

The InChIKey is BGVGTNIRLBAYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.C23H25N5O.C21H21N5O2.C19H19N7O2.4C18H16N4O2.ClH.O2S/c1-15-6-8-16(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;1-15-3-5-17(6-4-15)23-27-26-22(29-23)13-19-11-18-12-21(24-14-20(18)25-19)28-9-7-16(2)8-10-28;1-14-2-4-15(5-3-14)21-25-24-19(28-21)13-16-12-17-18(23-16)6-7-22-20(17)26-8-10-27-11-9-26;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;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;;1-3-2/h3-12H,13-14H2,1-2H3;3-6,12,14,16H,7-11,13H2,1-2H3;2-7H,8-13H2,1H3;2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);4*3-8H,9-10H2,1-2H3;1H;.

What are the key properties of 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride?

2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride has a molecular weight of 2918.71 g/mol, XLogP of 28.61, 33 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(3-methoxyphenyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]methyl]-5-(4-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-(4-methylphenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-methylphenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;sulfur dioxide;hydrochloride is sourced from PubChem (CID 167677239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).