2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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

C153H147ClN42O15S — CID 167589081

About 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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

2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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 (PubChem CID 167589081) has the molecular formula C153H147ClN42O15S and a molecular weight of 2881.66 g/mol. Its IUPAC name is 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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.

Molecular Properties

• Compound Name: 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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
• PubChem CID: 167589081
• Molecular Formula: C153H147ClN42O15S
• Molecular Weight: 2881.66 g/mol
• Exact Mass: 2879.14
• IUPAC Name: 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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
• 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.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(Cl)nc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(N5CCC(C)CC5)cc4C3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCN(C)CC5)ncc4[nH]3)o2)cc1.O=S=O
• InChI: InChI=1S/C23H25N5O.C21H21N5O2.C20H22N8O.C19H19N7O2.3C18H16N4O2.C16H12ClN5O.O2S/c1-15-3-5-17(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;1-13-3-5-14(6-4-13)18-25-26-20(29-18)24-19-22-15-11-17(21-12-16(15)23-19)28-9-7-27(2)8-10-28;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;3*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;1-9-2-4-10(5-3-9)15-22-21-14(23-15)7-11-6-12-13(19-11)8-18-16(17)20-12;1-3-2/h3-6,12,14,16H,7-11,13H2,1-2H3;2-7H,8-13H2,1H3;3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24,26);2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);3*3-8H,9-10H2,1-2H3;2-5,8H,6-7H2,1H3
• InChIKey: IEQIMTHBYAAERQ-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 679.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 55
• Rotatable Bonds: 31
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2881.66
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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?

The IUPAC name of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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 (CID 167589081) is 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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.

What is the SMILES notation for 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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?

The canonical SMILES for 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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 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.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(Cl)nc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(N5CCC(C)CC5)cc4C3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCN(C)CC5)ncc4[nH]3)o2)cc1.O=S=O.

What is the InChIKey of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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?

The InChIKey is IEQIMTHBYAAERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O.C21H21N5O2.C20H22N8O.C19H19N7O2.3C18H16N4O2.C16H12ClN5O.O2S/c1-15-3-5-17(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;1-13-3-5-14(6-4-13)18-25-26-20(29-18)24-19-22-15-11-17(21-12-16(15)23-19)28-9-7-27(2)8-10-28;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;3*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;1-9-2-4-10(5-3-9)15-22-21-14(23-15)7-11-6-12-13(19-11)8-18-16(17)20-12;1-3-2/h3-6,12,14,16H,7-11,13H2,1-2H3;2-7H,8-13H2,1H3;3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24,26);2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);3*3-8H,9-10H2,1-2H3;2-5,8H,6-7H2,1H3;.

What are the key properties of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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?

2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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 has a molecular weight of 2881.66 g/mol, XLogP of 26.05, 31 rotatable bonds, 4 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;tris(2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole);5-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;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 is sourced from PubChem (CID 167589081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).