5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

C123H110N20O7 — CID 163794376

IUPAC5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.C[C@@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.C[C@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.Cc1cc2c(cc1-c1cnc(CCc3ccccc3)nc1)CC(=O)N2.Cc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1
InChIInChI=1S/C21H19N3O2.2C21H19N3O.2C20H18N4O.C20H17N3O/c1-26-18-4-2-3-14(9-18)5-8-20-22-12-17(13-23-20)15-6-7-19-16(10-15)11-21(25)24-19;1-14-3-2-4-15(9-14)5-8-20-22-12-18(13-23-20)16-6-7-19-17(10-16)11-21(25)24-19;1-14-9-19-16(11-21(25)24-19)10-18(14)17-12-22-20(23-13-17)8-7-15-5-3-2-4-6-15;2*1-13(14-5-3-2-4-6-14)23-20-21-11-17(12-22-20)15-7-8-16-10-19(25)24-18(16)9-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-6,9-10,12-13H,7-8,11H2,1H3,(H,24,25);2*2-9,11-13H,10H2,1H3,(H,24,25)(H,21,22,23);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24)/t;;;2*13-;/m...10./s1
InChIKeyMZNISHJEAJBADV-GVTOOADLSA-N
MW1980.37 g/mol
LogP21.94
Rot. Bonds25

About 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163794376) has the molecular formula C123H110N20O7 and a molecular weight of 1980.37 g/mol. Its IUPAC name is 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
PubChem CID163794376
Molecular FormulaC123H110N20O7
Molecular Weight1980.37 g/mol
Exact Mass1978.89
IUPAC Name5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
SMILESCOc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.C[C@@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.C[C@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.Cc1cc2c(cc1-c1cnc(CCc3ccccc3)nc1)CC(=O)N2.Cc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1
InChIInChI=1S/C21H19N3O2.2C21H19N3O.2C20H18N4O.C20H17N3O/c1-26-18-4-2-3-14(9-18)5-8-20-22-12-17(13-23-20)15-6-7-19-16(10-15)11-21(25)24-19;1-14-3-2-4-15(9-14)5-8-20-22-12-18(13-23-20)16-6-7-19-17(10-16)11-21(25)24-19;1-14-9-19-16(11-21(25)24-19)10-18(14)17-12-22-20(23-13-17)8-7-15-5-3-2-4-6-15;2*1-13(14-5-3-2-4-6-14)23-20-21-11-17(12-22-20)15-7-8-16-10-19(25)24-18(16)9-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-6,9-10,12-13H,7-8,11H2,1H3,(H,24,25);2*2-9,11-13H,10H2,1H3,(H,24,25)(H,21,22,23);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24)/t;;;2*13-;/m...10./s1
InChIKeyMZNISHJEAJBADV-GVTOOADLSA-N
XLogP21.94
TPSA362.57 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.37
LogP ≤ 521.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-4-yl-2-(trifluoromethyl)benzamide
CID 157121939
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-6-[2-(3,5-dimethoxyphenyl)ethyl]-5-fluoropyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-pyridin-3-ylethyl)pyrimidine;3-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N,N-dimethylbenzamide;3-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]-N-methylbenzamide;1-[3-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one
CID 159772441
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]aniline;N-[4-methyl-3-[(5-methyl-4-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-[[3-methyl-4-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]anilino]methyl]phenyl]acetamide;N-[4-methyl-3-[(4-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161741749
1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanone;1-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 161902313
(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
2-[2-[2-[3,5-bis[2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-5-[6-[4-[2-[3,5-bis[2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-3-dibenzofuran-3-ylbenzene-6-id-1-yl]pyrimidin-4-yl]benzene-4-id-1-yl]-9H-carbazole;bis(iridium(3+))
CID 141692816
benzene;2-cyclohexa-1,3-dien-1-yl-4-[4-(6-cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-ylpyrimidin-4-yl)phenyl]-1,3-benzoxazole;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-benzoxazole;4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole;4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole;6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-1,3-benzoxazole;N'-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]-N-[[4-(1,3-oxazonin-7-yl)phenyl]methylidene]benzenecarboximidamide
CID 157188593
ethyl N-[6-[1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-[1-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-oxo-4-pyridinyl]-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;ethyl N-[6-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]carbamate;1-ethyl-3-[6-(2-methyl-3-oxo-1H-isoindol-5-yl)-4-pyridin-2-yl-1H-benzimidazol-2-yl]urea
CID 157221389
10-Dibenzofuran-2-yl-7-[5-(4,6-diphenyl-2-pyridinyl)pyrimidin-2-yl]benzo[c]carbazole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenyl-6-(8-phenyldibenzofuran-2-yl)carbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157437114
[4-(2-benzylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(4-benzylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(3-fluoroanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(4-methoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone
CID 157448533
N-[3-[3-(2,3-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;N-[3-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide;N-[4-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]acetamide;3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide;N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 157554262
2-[4-[4,6-Bis[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;5,6-dimethyl-2-[4-[4-(3-pyrimidin-4-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 157643105

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163794376) is 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is COc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.C[C@@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.C[C@H](Nc1ncc(-c2ccc3c(c2)NC(=O)C3)cn1)c1ccccc1.Cc1cc2c(cc1-c1cnc(CCc3ccccc3)nc1)CC(=O)N2.Cc1cccc(CCc2ncc(-c3ccc4c(c3)CC(=O)N4)cn2)c1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.
What is the InChIKey of 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is MZNISHJEAJBADV-GVTOOADLSA-N. The full InChI is InChI=1S/C21H19N3O2.2C21H19N3O.2C20H18N4O.C20H17N3O/c1-26-18-4-2-3-14(9-18)5-8-20-22-12-17(13-23-20)15-6-7-19-16(10-15)11-21(25)24-19;1-14-3-2-4-15(9-14)5-8-20-22-12-18(13-23-20)16-6-7-19-17(10-16)11-21(25)24-19;1-14-9-19-16(11-21(25)24-19)10-18(14)17-12-22-20(23-13-17)8-7-15-5-3-2-4-6-15;2*1-13(14-5-3-2-4-6-14)23-20-21-11-17(12-22-20)15-7-8-16-10-19(25)24-18(16)9-15;24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,24,25);2-6,9-10,12-13H,7-8,11H2,1H3,(H,24,25);2*2-9,11-13H,10H2,1H3,(H,24,25)(H,21,22,23);1-5,7-8,10,12-13H,6,9,11H2,(H,23,24)/t;;;2*13-;/m...10./s1.
What are the key properties of 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?
5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 1980.37 g/mol, XLogP of 21.94, 25 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methoxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-methyl-5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;6-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163794376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).