1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone

C139H113N25O8 — CID 158062389

IUPAC1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
SMILESCN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1
InChIInChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26)
InChIKeyFKUPOOIPHAQWBU-UHFFFAOYSA-N
MW2261.60 g/mol
LogP20.53
Rot. Bonds25

About 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone

1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone (PubChem CID 158062389) has the molecular formula C139H113N25O8 and a molecular weight of 2261.60 g/mol. Its IUPAC name is 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
PubChem CID158062389
Molecular FormulaC139H113N25O8
Molecular Weight2261.60 g/mol
Exact Mass2259.92
IUPAC Name1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone
SMILESCN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1
InChIInChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26)
InChIKeyFKUPOOIPHAQWBU-UHFFFAOYSA-N
XLogP20.53
TPSA398.59 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002261.60
LogP ≤ 520.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone with MolForge

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Related Compounds

8-[3-[3-[2-(4-phenyl-1H-imidazol-2-yl)furan-3-yl]-6-[2-(1-phenyl-1,2,4-triazol-3-yl)furan-3-yl]carbazol-9-yl]-5-[9-phenyl-6-(1-phenyl-1,2,4-triazol-3-yl)carbazol-3-yl]phenyl]-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 123470350
(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinazolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-one;2-methyl-1-[(2S)-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]methoxy]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 123647363
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137099571
N,N-diethyl-6-[6-[2-[[2-[2-(ethylcarbamoyl)-1H-indol-5-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387851
N-[2-[4-[1-[3-[[2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[(2-amino-2-oxoethyl)-[3-[4-[4-[2-[[4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]propyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethyl]-4-[5-[2-[4-[3-(dimethylamino)propoxy]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649809
4-[6-(1H-benzimidazol-2-yl)-7-dibenzofuran-1-yl-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-1H-indazol-5-yl]-1H-benzotriazole
CID 141113485
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 157079679
6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157231809
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-2-yl)methyl]benzamide
CID 157305336
8-(1,3-dimethylbenzimidazol-3-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 157379235
6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-3-methyl-2H-indazole;4-tert-butyl-1-methyl-2-phenoxybenzene;1-[2-(2-hydroxyethyl)-3H-benzimidazol-5-yl]-2-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(5-methyl-1H-imidazol-3-ium-3-yl)phenyl]ethanone
CID 157428022
8-(1,3-Dimethylbenzimidazol-3-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,3-dimethylimidazol-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;1,3-dimethyl-2-(3-methyldibenzofuran-4-yl)benzimidazol-3-ium;2-methyl-1-(2-methylphenyl)indazol-2-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium
CID 157610341

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The IUPAC name of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone (CID 158062389) is 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone is CN(C1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3)c1ccnn1C.Cn1ccc(C2=NCc3cc4c(cc32)N=C(C(=O)Cc2ccccc2)C4)cc1=O.Cn1nccc1CC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nccc1OC1=NCc2cc3c(cc21)N=C(C(=O)Cc1ccccc1)C3.Cn1nnc2cc(C3=NCc4cc5c(cc43)N=C(C(=O)Cc3ccccc3)C5)ccc21.O=C(Cc1ccccc1)c1nc2cc3c(cc2[nH]1)CN=C3c1ccncc1.
What is the InChIKey of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
The InChIKey is FKUPOOIPHAQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O.C24H19N3O2.C23H21N5O.C23H20N4O.C22H18N4O2.C22H16N4O/c1-30-23-8-7-16(11-21(23)28-29-30)25-19-13-20-17(10-18(19)14-26-25)12-22(27-20)24(31)9-15-5-3-2-4-6-15;1-27-8-7-16(12-23(27)29)24-19-13-20-17(10-18(19)14-25-24)11-21(26-20)22(28)9-15-5-3-2-4-6-15;1-27(22-8-9-25-28(22)2)23-18-13-19-16(11-17(18)14-24-23)12-20(26-19)21(29)10-15-6-4-3-5-7-15;1-27-18(7-8-25-27)12-21-19-13-20-16(10-17(19)14-24-21)11-22(26-20)23(28)9-15-5-3-2-4-6-15;1-26-21(7-8-24-26)28-22-17-12-18-15(10-16(17)13-23-22)11-19(25-18)20(27)9-14-5-3-2-4-6-14;27-20(10-14-4-2-1-3-5-14)22-25-18-11-16-13-24-21(15-6-8-23-9-7-15)17(16)12-19(18)26-22/h2-8,10-11,13H,9,12,14H2,1H3;2-8,10,12-13H,9,11,14H2,1H3;3-9,11,13H,10,12,14H2,1-2H3;2-8,10,13H,9,11-12,14H2,1H3;2-8,10,12H,9,11,13H2,1H3;1-9,11-12H,10,13H2,(H,25,26).
What are the key properties of 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone?
1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone has a molecular weight of 2261.60 g/mol, XLogP of 20.53, 25 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-methylbenzotriazol-5-yl)-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-[methyl-(2-methylpyrazol-3-yl)amino]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-methyl-4-[2-(2-phenylacetyl)-3,5-dihydropyrrolo[3,4-f]indol-7-yl]pyridin-2-one;1-[7-[(2-methylpyrazol-3-yl)methyl]-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;1-[7-(2-methylpyrazol-3-yl)oxy-3,5-dihydropyrrolo[3,4-f]indol-2-yl]-2-phenylethanone;2-phenyl-1-(7-pyridin-4-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-2-yl)ethanone is sourced from PubChem (CID 158062389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).