2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride

C150H111Cl2F9N38O15S2 — CID 167681319

IUPAC2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride
SMILESCOc1cccc2sc(Cc3nnc(-c4ccc(F)cc4)o3)nc12.COc1nccc2c1N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cc2c(cn1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cncc2c1CC(Cc1nnc(-c3ccc(F)cc3)o1)=N2.Cl.Fc1ccc(-c2nnc(CC3=Nc4cnc(Cl)cc4C3)o2)cc1.Fc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Fc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.OCc1ccc2c(n1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.OCc1ccc2nc(Cc3nnc(-c4ccc(F)cc4)o3)sc2n1
InChIInChI=1S/C18H16FN7O2.2C17H13FN4O2.2C17H13FN4O.C17H12FN3O2S.C16H10ClFN4O.C16H11FN4O2S.C15H9FN4O2.ClH/c19-12-3-1-11(2-4-12)16-24-25-18(28-16)23-17-21-13-9-15(20-10-14(13)22-17)26-5-7-27-8-6-26;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;18-12-4-1-10(2-5-12)17-22-21-15(24-17)8-14-7-11-3-6-13(9-23)19-16(11)20-14;1-10-8-19-9-15-14(10)6-13(20-15)7-16-21-22-17(23-16)11-2-4-12(18)5-3-11;1-10-6-12-7-14(20-15(12)9-19-10)8-16-21-22-17(23-16)11-2-4-13(18)5-3-11;1-22-12-3-2-4-13-16(12)19-15(24-13)9-14-20-21-17(23-14)10-5-7-11(18)8-6-10;17-14-6-10-5-12(20-13(10)8-19-14)7-15-21-22-16(23-15)9-1-3-11(18)4-2-9;17-10-3-1-9(2-4-10)15-21-20-13(23-15)7-14-19-12-6-5-11(8-22)18-16(12)24-14;16-10-5-3-9(4-6-10)15-20-19-13(22-15)8-12-18-14-11(21-12)2-1-7-17-14;/h1-4,9-10H,5-8H2,(H2,21,22,23,25);2-7H,8-9H2,1H3;1-6,23H,7-9H2;2-5,8-9H,6-7H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9H2,1H3;1-4,6,8H,5,7H2;1-6,22H,7-8H2;1-7H,8H2;1H
InChIKeyCCVFDJVAVQSGDA-UHFFFAOYSA-N
MW2991.81 g/mol
LogP29.68
Rot. Bonds32

About 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride

2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride (PubChem CID 167681319) has the molecular formula C150H111Cl2F9N38O15S2 and a molecular weight of 2991.81 g/mol. Its IUPAC name is 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride.

Molecular Properties

Compound Name2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride
PubChem CID167681319
Molecular FormulaC150H111Cl2F9N38O15S2
Molecular Weight2991.81 g/mol
Exact Mass2988.78
IUPAC Name2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride
SMILESCOc1cccc2sc(Cc3nnc(-c4ccc(F)cc4)o3)nc12.COc1nccc2c1N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cc2c(cn1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cncc2c1CC(Cc1nnc(-c3ccc(F)cc3)o1)=N2.Cl.Fc1ccc(-c2nnc(CC3=Nc4cnc(Cl)cc4C3)o2)cc1.Fc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Fc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.OCc1ccc2c(n1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.OCc1ccc2nc(Cc3nnc(-c4ccc(F)cc4)o3)sc2n1
InChIInChI=1S/C18H16FN7O2.2C17H13FN4O2.2C17H13FN4O.C17H12FN3O2S.C16H10ClFN4O.C16H11FN4O2S.C15H9FN4O2.ClH/c19-12-3-1-11(2-4-12)16-24-25-18(28-16)23-17-21-13-9-15(20-10-14(13)22-17)26-5-7-27-8-6-26;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;18-12-4-1-10(2-5-12)17-22-21-15(24-17)8-14-7-11-3-6-13(9-23)19-16(11)20-14;1-10-8-19-9-15-14(10)6-13(20-15)7-16-21-22-17(23-16)11-2-4-12(18)5-3-11;1-10-6-12-7-14(20-15(12)9-19-10)8-16-21-22-17(23-16)11-2-4-13(18)5-3-11;1-22-12-3-2-4-13-16(12)19-15(24-13)9-14-20-21-17(23-14)10-5-7-11(18)8-6-10;17-14-6-10-5-12(20-13(10)8-19-14)7-15-21-22-16(23-15)9-1-3-11(18)4-2-9;17-10-3-1-9(2-4-10)15-21-20-13(23-15)7-14-19-12-6-5-11(8-22)18-16(12)24-14;16-10-5-3-9(4-6-10)15-20-19-13(22-15)8-12-18-14-11(21-12)2-1-7-17-14;/h1-4,9-10H,5-8H2,(H2,21,22,23,25);2-7H,8-9H2,1H3;1-6,23H,7-9H2;2-5,8-9H,6-7H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9H2,1H3;1-4,6,8H,5,7H2;1-6,22H,7-8H2;1-7H,8H2;1H
InChIKeyCCVFDJVAVQSGDA-UHFFFAOYSA-N
XLogP29.68
TPSA679.11 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds32
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002991.81
LogP ≤ 529.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride?
The IUPAC name of 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride (CID 167681319) is 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride.
What is the SMILES notation for 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride?
The canonical SMILES for 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride is COc1cccc2sc(Cc3nnc(-c4ccc(F)cc4)o3)nc12.COc1nccc2c1N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cc2c(cn1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.Cc1cncc2c1CC(Cc1nnc(-c3ccc(F)cc3)o1)=N2.Cl.Fc1ccc(-c2nnc(CC3=Nc4cnc(Cl)cc4C3)o2)cc1.Fc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Fc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.OCc1ccc2c(n1)N=C(Cc1nnc(-c3ccc(F)cc3)o1)C2.OCc1ccc2nc(Cc3nnc(-c4ccc(F)cc4)o3)sc2n1.
What is the InChIKey of 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride?
The InChIKey is CCVFDJVAVQSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7O2.2C17H13FN4O2.2C17H13FN4O.C17H12FN3O2S.C16H10ClFN4O.C16H11FN4O2S.C15H9FN4O2.ClH/c19-12-3-1-11(2-4-12)16-24-25-18(28-16)23-17-21-13-9-15(20-10-14(13)22-17)26-5-7-27-8-6-26;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;18-12-4-1-10(2-5-12)17-22-21-15(24-17)8-14-7-11-3-6-13(9-23)19-16(11)20-14;1-10-8-19-9-15-14(10)6-13(20-15)7-16-21-22-17(23-16)11-2-4-12(18)5-3-11;1-10-6-12-7-14(20-15(12)9-19-10)8-16-21-22-17(23-16)11-2-4-13(18)5-3-11;1-22-12-3-2-4-13-16(12)19-15(24-13)9-14-20-21-17(23-14)10-5-7-11(18)8-6-10;17-14-6-10-5-12(20-13(10)8-19-14)7-15-21-22-16(23-15)9-1-3-11(18)4-2-9;17-10-3-1-9(2-4-10)15-21-20-13(23-15)7-14-19-12-6-5-11(8-22)18-16(12)24-14;16-10-5-3-9(4-6-10)15-20-19-13(22-15)8-12-18-14-11(21-12)2-1-7-17-14;/h1-4,9-10H,5-8H2,(H2,21,22,23,25);2-7H,8-9H2,1H3;1-6,23H,7-9H2;2-5,8-9H,6-7H2,1H3;2-6,9H,7-8H2,1H3;2-8H,9H2,1H3;1-4,6,8H,5,7H2;1-6,22H,7-8H2;1-7H,8H2;1H.
What are the key properties of 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride?
2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride has a molecular weight of 2991.81 g/mol, XLogP of 29.68, 32 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride is sourced from PubChem (CID 167681319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).