2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline

C134H107F3IN25O14 — CID 172946772

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline
SMILESC1=C(c2ccnc3ccccc23)C(c2ccccn2)=NC1.CC(=O)O/N=C1\C(c2c(O)[nH]c3cc(C)ccc23)=Nc2ccccc21.Cc1ccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c2c1.Cc1cccc(C2=C(c3ccc4c(c3)OCO4)CC(C(C)(C)C)=N2)n1.NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1.O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12.O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc3nc[nH]c23)cc1
InChIInChI=1S/C23H18N4O3.C21H22N2O2.C20H16F3N7O2.C19H15N3O3.C18H13N3.C17H13N3O2.C16H10IN3O2/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18;1-13-6-5-7-16(22-13)20-15(11-19(23-20)21(2,3)4)14-8-9-17-18(10-14)25-12-24-17;21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32;1-10-7-8-12-15(9-10)21-19(24)16(12)18-17(22-25-11(2)23)13-5-3-4-6-14(13)20-18;1-2-6-16-14(5-1)13(8-11-20-16)15-9-12-21-18(15)17-7-3-4-10-19-17;1-9-6-7-10-13(8-9)19-17(21)14(10)16-15(20-22)11-4-2-3-5-12(11)18-16;17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-10,13H,11-12H2,(H2,24,28)(H,26,27);5-10H,11-12H2,1-4H3;1-8,11H,9-10H2,(H3,24,25,26,27,28,29);3-9,21,24H,1-2H3;1-11H,12H2;2-8,18-19,21H,1H3;1-7,18-19,21H/b;;;22-17-;;;
InChIKeyPRKYKQTYDSDVBN-CFAWCSMDSA-N
MW2475.39 g/mol
LogP29.91
Rot. Bonds21

About 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline

2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline (PubChem CID 172946772) has the molecular formula C134H107F3IN25O14 and a molecular weight of 2475.39 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline
PubChem CID172946772
Molecular FormulaC134H107F3IN25O14
Molecular Weight2475.39 g/mol
Exact Mass2473.74
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline
SMILESC1=C(c2ccnc3ccccc23)C(c2ccccn2)=NC1.CC(=O)O/N=C1\C(c2c(O)[nH]c3cc(C)ccc23)=Nc2ccccc21.Cc1ccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c2c1.Cc1cccc(C2=C(c3ccc4c(c3)OCO4)CC(C(C)(C)C)=N2)n1.NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1.O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12.O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc3nc[nH]c23)cc1
InChIInChI=1S/C23H18N4O3.C21H22N2O2.C20H16F3N7O2.C19H15N3O3.C18H13N3.C17H13N3O2.C16H10IN3O2/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18;1-13-6-5-7-16(22-13)20-15(11-19(23-20)21(2,3)4)14-8-9-17-18(10-14)25-12-24-17;21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32;1-10-7-8-12-15(9-10)21-19(24)16(12)18-17(22-25-11(2)23)13-5-3-4-6-14(13)20-18;1-2-6-16-14(5-1)13(8-11-20-16)15-9-12-21-18(15)17-7-3-4-10-19-17;1-9-6-7-10-13(8-9)19-17(21)14(10)16-15(20-22)11-4-2-3-5-12(11)18-16;17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-10,13H,11-12H2,(H2,24,28)(H,26,27);5-10H,11-12H2,1-4H3;1-8,11H,9-10H2,(H3,24,25,26,27,28,29);3-9,21,24H,1-2H3;1-11H,12H2;2-8,18-19,21H,1H3;1-7,18-19,21H/b;;;22-17-;;;
InChIKeyPRKYKQTYDSDVBN-CFAWCSMDSA-N
XLogP29.91
TPSA556.15 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002475.39
LogP ≤ 529.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline with MolForge

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Related Compounds

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 162193573
1-butyl-3-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)urea;1-tert-butyl-4-methylbenzimidazole;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;2,4-difluoro-1-methylbenzene;propane
CID 157166191
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;bis(5-tert-butylpyridin-2-amine);1-tert-butyl-2,4,5-trimethylbenzene;2-fluoro-1,4-dimethylbenzene;propane
CID 157380074
1-tert-butyl-4-methylbenzimidazole;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;2,4-difluoro-1-methylbenzene;N-(2-methyl-3H-benzo[e]benzimidazol-8-yl)acetamide;2-methylpropane;propane
CID 158088045
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;1-tert-butyl-2,4,5-trimethylbenzene;2,4-difluoro-1-methylbenzene;ethane
CID 158228944
1-tert-butyl-2,4-difluoro-5-methylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine
CID 158372004
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;bis(5-tert-butylpyridin-2-amine);2-fluoro-1,4-dimethylbenzene;propane
CID 158466397
1-tert-butyl-4-fluoro-2,5-dimethylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;methane
CID 158487359
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;1-tert-butyl-2,4,5-trimethylbenzene;1,5-difluoro-2-methyl-4-propan-2-ylbenzene
CID 158583945
1-tert-butyl-4-fluoro-2,5-dimethylbenzene;1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;bis(5-tert-butylpyridin-2-amine);1-tert-butyl-2,4,5-trimethylbenzene;methane
CID 158722517
1-tert-butyl-4-methylbenzimidazole;N-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)acetamide;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-5-nitroindole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;1-tert-butyl-2,4,5-trimethylbenzene;2-fluoro-1,4-dimethylbenzene;propane
CID 159243783
1-butyl-3-(3-tert-butyl-2-methylbenzo[e]benzimidazol-8-yl)urea;1-tert-butyl-2,4-difluoro-5-methylbenzene;1-tert-butyl-4-methylbenzimidazole;2-tert-butyl-6-methylisoquinolin-1-one;2-tert-butyl-8-methylisoquinolin-1-one;2-tert-butyl-8-methyl-4-prop-1-ynylisoquinolin-1-one;N-(7-tert-butyl-1,8-naphthyridin-2-yl)acetamide;1-tert-butyl-5-nitrobenzimidazole;5-tert-butyl-6-nitro-1,3-benzodioxole;1-tert-butyl-3-nitropyrrole;2-tert-butyl-4-prop-1-ynylisoquinolin-1-one;5-tert-butylpyridin-2-amine;5-tert-butylpyrimidin-2-amine;1-tert-butyl-2,4,5-trimethylbenzene;methane
CID 159450049

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline (CID 172946772) is 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline is C1=C(c2ccnc3ccccc23)C(c2ccccn2)=NC1.CC(=O)O/N=C1\C(c2c(O)[nH]c3cc(C)ccc23)=Nc2ccccc21.Cc1ccc2c(-c3[nH]c4ccccc4c3N=O)c(O)[nH]c2c1.Cc1cccc(C2=C(c3ccc4c(c3)OCO4)CC(C(C)(C)C)=N2)n1.NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)c(-c3ccccn3)[nH]2)cc1.O=Nc1c(-c2c(O)[nH]c3ccc(I)cc23)[nH]c2ccccc12.O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(C(F)(F)F)c3)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline?
The InChIKey is PRKYKQTYDSDVBN-CFAWCSMDSA-N. The full InChI is InChI=1S/C23H18N4O3.C21H22N2O2.C20H16F3N7O2.C19H15N3O3.C18H13N3.C17H13N3O2.C16H10IN3O2/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18;1-13-6-5-7-16(22-13)20-15(11-19(23-20)21(2,3)4)14-8-9-17-18(10-14)25-12-24-17;21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32;1-10-7-8-12-15(9-10)21-19(24)16(12)18-17(22-25-11(2)23)13-5-3-4-6-14(13)20-18;1-2-6-16-14(5-1)13(8-11-20-16)15-9-12-21-18(15)17-7-3-4-10-19-17;1-9-6-7-10-13(8-9)19-17(21)14(10)16-15(20-22)11-4-2-3-5-12(11)18-16;17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-10,13H,11-12H2,(H2,24,28)(H,26,27);5-10H,11-12H2,1-4H3;1-8,11H,9-10H2,(H3,24,25,26,27,28,29);3-9,21,24H,1-2H3;1-11H,12H2;2-8,18-19,21H,1H3;1-7,18-19,21H/b;;;22-17-;;;.
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline?
2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline has a molecular weight of 2475.39 g/mol, XLogP of 29.91, 21 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-3H-pyrrol-5-yl]-6-methylpyridine;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide;[(Z)-[2-(2-hydroxy-6-methyl-1H-indol-3-yl)indol-3-ylidene]amino] acetate;5-iodo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-methyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol;6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine;4-(5-pyridin-2-yl-2H-pyrrol-4-yl)quinoline is sourced from PubChem (CID 172946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).