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-(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

C110H100ClN29O11 — CID 167687432

IUPAC2-[(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-(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
SMILESCOc1nccc2c1N=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(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1
InChIInChI=1S/C21H21N5O2.C19H19N7O2.3C18H16N4O2.C16H12ClN5O/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;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/h2-7H,8-13H2,1H3;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
InChIKeyWKOSWHKFQAAKHB-UHFFFAOYSA-N
MW2039.65 g/mol
LogP19.36
Rot. Bonds23

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-(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

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-(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 (PubChem CID 167687432) has the molecular formula C110H100ClN29O11 and a molecular weight of 2039.65 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-(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.

Molecular Properties

Compound Name2-[(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-(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
PubChem CID167687432
Molecular FormulaC110H100ClN29O11
Molecular Weight2039.65 g/mol
Exact Mass2037.78
IUPAC Name2-[(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-(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
SMILESCOc1nccc2c1N=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(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1
InChIInChI=1S/C21H21N5O2.C19H19N7O2.3C18H16N4O2.C16H12ClN5O/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;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/h2-7H,8-13H2,1H3;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
InChIKeyWKOSWHKFQAAKHB-UHFFFAOYSA-N
XLogP19.36
TPSA478.89 Ų
H-Bond Donors2
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002039.65
LogP ≤ 519.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1039

Analyze 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-(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 with MolForge

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Related Compounds

12-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[3-methoxy-4-(piperidin-1-ylmethyl)phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-[[4-[4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-yl]phenyl]methyl]morpholine;4-(1-methylpyrazol-4-yl)-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-oxazole
CID 159941433
N-[4-(6-cyano-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-(6-cyano-1H-benzimidazol-2-yl)phenyl]-1-methylpyrrole-2-carboxamide;2-[4-[2-(dimethylamino)ethylamino]phenyl]-3H-benzimidazole-5-carbonitrile;N,N-dimethyl-4-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)aniline;N',N'-dimethyl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]ethane-1,2-diamine;2-[4-(methylamino)phenyl]-3H-benzimidazole-5-carbonitrile;[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]phenyl]-3H-benzimidazol-5-yl]-phenylmethanone;2-(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carbonitrile;2-(4-piperidin-1-ylphenyl)-3H-benzimidazole-5-carbonitrile;2-pyridin-4-yl-6-pyrimidin-2-yl-1H-benzimidazole
CID 161988073
2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;2-(4-fluorophenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;5-(4-methylsulfanylphenyl)-N-(6-morpholin-4-yl-2,3-dihydro-1H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;sulfur dioxide
CID 167552361
2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;2-(4-fluorophenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;5-(4-methylsulfanylphenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;sulfur dioxide
CID 167627688
2-[(2-chloro-7H-pyrrolo[3,2-d]pyrimidin-6-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine;2-(4-fluorophenyl)-5-[[5-(4-methylpiperidin-1-yl)-3H-pyrrolo[2,3-c]pyridin-2-yl]methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(7-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;4-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[3,2-c]pyridin-4-yl]morpholine;2-(4-methoxyphenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole;2-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole;sulfur dioxide
CID 167707742
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 145664973
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 157198046
N-[4-(6-cyano-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-(6-cyano-1H-benzimidazol-2-yl)phenyl]-1-methylpyrrole-2-carboxamide;2-[4-[2-(dimethylamino)ethylamino]phenyl]-3H-benzimidazole-5-carbonitrile;N,N-dimethyl-4-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)aniline;2-[4-(methylamino)phenyl]-3H-benzimidazole-5-carbonitrile;[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]phenyl]-3H-benzimidazol-5-yl]-phenylmethanone;[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]-phenylmethanone;2-(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carbonitrile;2-(4-piperidin-1-ylphenyl)-3H-benzimidazole-5-carbonitrile;2-pyridin-4-yl-6-pyrimidin-2-yl-1H-benzimidazole
CID 157222974
N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157362673
N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;N-[4-[4-amino-1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399613
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 157703209
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;7-(furan-3-yl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-(furan-3-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 157786765

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-(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?
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-(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 (CID 167687432) 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-(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.
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-(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?
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-(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 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(Nc3nc4c(N5CCOCC5)cncc4[nH]3)o2)cc1.
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-(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?
The InChIKey is WKOSWHKFQAAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C19H19N7O2.3C18H16N4O2.C16H12ClN5O/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;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/h2-7H,8-13H2,1H3;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-(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?
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-(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 has a molecular weight of 2039.65 g/mol, XLogP of 19.36, 23 rotatable bonds, 2 hydrogen bond donors, and 39 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-(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 is sourced from PubChem (CID 167687432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).