6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

C101H81Cl3F5N13O6 — CID 159798911

IUPAC6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.COc1ccc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cc1.Cc1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cnc1Cl.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C21H17ClN2O2.C20H15Cl2N3O.C20H16F3N3O.C20H18FN3O.C20H15FN2O/c1-26-18-8-6-14(7-9-18)15-4-5-16(19(22)11-15)12-24-13-17-3-2-10-23-20(17)21(24)25;1-12-7-16(9-24-19(12)22)13-4-5-14(17(21)8-13)10-25-11-15-3-2-6-23-18(15)20(25)26;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24/h2-11H,12-13H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;1-11H,12-13H2
InChIKeyNJNMBZCMPJBDFW-UHFFFAOYSA-N
MW1774.19 g/mol
LogP21.73
Rot. Bonds16

About 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 159798911) has the molecular formula C101H81Cl3F5N13O6 and a molecular weight of 1774.19 g/mol. Its IUPAC name is 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
PubChem CID159798911
Molecular FormulaC101H81Cl3F5N13O6
Molecular Weight1774.19 g/mol
Exact Mass1771.54
IUPAC Name6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.COc1ccc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cc1.Cc1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cnc1Cl.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C21H17ClN2O2.C20H15Cl2N3O.C20H16F3N3O.C20H18FN3O.C20H15FN2O/c1-26-18-8-6-14(7-9-18)15-4-5-16(19(22)11-15)12-24-13-17-3-2-10-23-20(17)21(24)25;1-12-7-16(9-24-19(12)22)13-4-5-14(17(21)8-13)10-25-11-15-3-2-6-23-18(15)20(25)26;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24/h2-11H,12-13H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;1-11H,12-13H2
InChIKeyNJNMBZCMPJBDFW-UHFFFAOYSA-N
XLogP21.73
TPSA197.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001774.19
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Related Compounds

CID 157066093
CID 157066093
2-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]butanamide;1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-1-propyl-3-[4-(trifluoromethoxy)phenyl]indole;N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]acetamide
CID 157842645
(2-chloro-5-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,3-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2,6-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(4-methoxy-2,5-dimethylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(3-methoxy-2-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone
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1-[2-[1-(3-aminopropyl)-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanone;2-[4-[1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]phenyl]ethanamine;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indole;1-butyl-4-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 158046118
[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 158182752
(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;methane;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 158195340
Tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(6-methyl-3-pyridinyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
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(5R)-5-[2-(3-chloro-4-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(3-fluoro-4-methylphenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-(2-isoquinolin-4-ylethynyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(2-methylindazol-6-yl)ethynyl]imidazolidine-2,4-dione
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(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
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CID 159037518
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(3-chloro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;methane;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
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(3-chloro-5-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;3H-isoindol-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 159140384

Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (CID 159798911) is 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is CC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.COc1ccc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cc1.Cc1cc(-c2ccc(CN3Cc4cccnc4C3=O)c(Cl)c2)cnc1Cl.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F.
What is the InChIKey of 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is NJNMBZCMPJBDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2.C20H15Cl2N3O.C20H16F3N3O.C20H18FN3O.C20H15FN2O/c1-26-18-8-6-14(7-9-18)15-4-5-16(19(22)11-15)12-24-13-17-3-2-10-23-20(17)21(24)25;1-12-7-16(9-24-19(12)22)13-4-5-14(17(21)8-13)10-25-11-15-3-2-6-23-18(15)20(25)26;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24/h2-11H,12-13H2,1H3;2-9H,10-11H2,1H3;2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;1-11H,12-13H2.
What are the key properties of 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1774.19 g/mol, XLogP of 21.73, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159798911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).