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

C163H148Cl2N44O15 — CID 167664533

IUPAC2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride
SMILESCOc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(C)cc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(Cl)nc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cncc(C)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4nc(CO)ccc4C3)o2)cc1.Cc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cl
InChIInChI=1S/C21H21N5O2.2C19H19N7O2.2C18H16N4O2.2C18H16N4O.C16H12ClN5O.C16H12N4O2.ClH/c1-14-2-4-15(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;2*1-12-2-4-13(5-3-12)17-24-25-19(28-17)23-18-21-14-10-16(20-11-15(14)22-18)26-6-8-27-9-7-26;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;1-11-2-4-12(5-3-11)18-22-21-16(24-18)9-15-8-13-6-7-14(10-23)19-17(13)20-15;1-11-3-5-13(6-4-11)18-22-21-17(23-18)8-14-7-15-12(2)9-19-10-16(15)20-14;1-11-3-5-13(6-4-11)18-22-21-17(23-18)9-15-8-14-7-12(2)19-10-16(14)20-15;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;1-10-4-6-11(7-5-10)16-20-19-14(22-16)9-13-18-15-12(21-13)3-2-8-17-15;/h2-7H,8-13H2,1H3;2*2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);3-8H,9-10H2,1-2H3;2-7,23H,8-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-5,8H,6-7H2,1H3;2-8H,9H2,1H3;1H
InChIKeyJEXNVOPKINDPPN-UHFFFAOYSA-N
MW3034.18 g/mol
LogP29.26
Rot. Bonds32

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

2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride (PubChem CID 167664533) has the molecular formula C163H148Cl2N44O15 and a molecular weight of 3034.18 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;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride
PubChem CID167664533
Molecular FormulaC163H148Cl2N44O15
Molecular Weight3034.18 g/mol
Exact Mass3031.15
IUPAC Name2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride
SMILESCOc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(C)cc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(Cl)nc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cncc(C)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4nc(CO)ccc4C3)o2)cc1.Cc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cl
InChIInChI=1S/C21H21N5O2.2C19H19N7O2.2C18H16N4O2.2C18H16N4O.C16H12ClN5O.C16H12N4O2.ClH/c1-14-2-4-15(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;2*1-12-2-4-13(5-3-12)17-24-25-19(28-17)23-18-21-14-10-16(20-11-15(14)22-18)26-6-8-27-9-7-26;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;1-11-2-4-12(5-3-11)18-22-21-16(24-18)9-15-8-13-6-7-14(10-23)19-17(13)20-15;1-11-3-5-13(6-4-11)18-22-21-17(23-18)8-14-7-15-12(2)9-19-10-16(15)20-14;1-11-3-5-13(6-4-11)18-22-21-17(23-18)9-15-8-14-7-12(2)19-10-16(14)20-15;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;1-10-4-6-11(7-5-10)16-20-19-14(22-16)9-13-18-15-12(21-13)3-2-8-17-15;/h2-7H,8-13H2,1H3;2*2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);3-8H,9-10H2,1-2H3;2-7,23H,8-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-5,8H,6-7H2,1H3;2-8H,9H2,1H3;1H
InChIKeyJEXNVOPKINDPPN-UHFFFAOYSA-N
XLogP29.26
TPSA727.66 Ų
H-Bond Donors5
H-Bond Acceptors57
Rotatable Bonds32
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003034.18
LogP ≤ 529.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1057

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

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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;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride?
The IUPAC name of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride (CID 167664533) is 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride.
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;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride is COc1nccc2c1N=C(Cc1nnc(-c3ccc(C)cc3)o1)C2.Cc1ccc(-c2nnc(CC3=Nc4ccnc(N5CCOCC5)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(C)cc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cnc(Cl)nc4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4cncc(C)c4C3)o2)cc1.Cc1ccc(-c2nnc(CC3=Nc4nc(CO)ccc4C3)o2)cc1.Cc1ccc(-c2nnc(Cc3nc4ncccc4o3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cc1ccc(-c2nnc(Nc3nc4cc(N5CCOCC5)ncc4[nH]3)o2)cc1.Cl.
What is the InChIKey of 2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride?
The InChIKey is JEXNVOPKINDPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.2C19H19N7O2.2C18H16N4O2.2C18H16N4O.C16H12ClN5O.C16H12N4O2.ClH/c1-14-2-4-15(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;2*1-12-2-4-13(5-3-12)17-24-25-19(28-17)23-18-21-14-10-16(20-11-15(14)22-18)26-6-8-27-9-7-26;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;1-11-2-4-12(5-3-11)18-22-21-16(24-18)9-15-8-13-6-7-14(10-23)19-17(13)20-15;1-11-3-5-13(6-4-11)18-22-21-17(23-18)8-14-7-15-12(2)9-19-10-16(15)20-14;1-11-3-5-13(6-4-11)18-22-21-17(23-18)9-15-8-14-7-12(2)19-10-16(14)20-15;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;1-10-4-6-11(7-5-10)16-20-19-14(22-16)9-13-18-15-12(21-13)3-2-8-17-15;/h2-7H,8-13H2,1H3;2*2-5,10-11H,6-9H2,1H3,(H2,21,22,23,25);3-8H,9-10H2,1-2H3;2-7,23H,8-10H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-7,10H,8-9H2,1-2H3;2-5,8H,6-7H2,1H3;2-8H,9H2,1H3;1H.
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;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride?
2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride has a molecular weight of 3034.18 g/mol, XLogP of 29.26, 32 rotatable bonds, 5 hydrogen bond donors, and 57 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;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-methylphenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;bis(5-(4-methylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine);2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;4-[2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 167664533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).