2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate

C95H125N13O11S — CID 158149235

IUPAC2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate
SMILESCCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2ccco2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNc2ccccn2)c2ccc(OC)c(OC)c2)C3=O)CC1.O
InChIInChI=1S/C32H42N4O4.C32H42N4O3S.C31H39N5O3.H2O/c2*1-5-34-16-18-35(19-17-34)29-11-6-10-26-27(29)23-36(32(26)37)28(24-13-14-30(38-3)31(21-24)39-4)12-7-15-33(2)22-25-9-8-20-40-25;1-4-34-17-19-35(20-18-34)27-10-7-9-24-25(27)22-36(31(24)37)26(11-8-16-33-30-12-5-6-15-32-30)23-13-14-28(38-2)29(21-23)39-3;/h2*6,8-11,13-14,20-21,28H,5,7,12,15-19,22-23H2,1-4H3;5-7,9-10,12-15,21,26H,4,8,11,16-20,22H2,1-3H3,(H,32,33);1H2/t2*28-;26-;/m111./s1
InChIKeyFYJMOGOCDFCRGH-KCJNZPRZSA-N
MW1657.19 g/mol
LogP14.57
Rot. Bonds35

About 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate

2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate (PubChem CID 158149235) has the molecular formula C95H125N13O11S and a molecular weight of 1657.19 g/mol. Its IUPAC name is 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate.

Molecular Properties

Compound Name2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate
PubChem CID158149235
Molecular FormulaC95H125N13O11S
Molecular Weight1657.19 g/mol
Exact Mass1655.93
IUPAC Name2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate
SMILESCCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2ccco2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNc2ccccn2)c2ccc(OC)c(OC)c2)C3=O)CC1.O
InChIInChI=1S/C32H42N4O4.C32H42N4O3S.C31H39N5O3.H2O/c2*1-5-34-16-18-35(19-17-34)29-11-6-10-26-27(29)23-36(32(26)37)28(24-13-14-30(38-3)31(21-24)39-4)12-7-15-33(2)22-25-9-8-20-40-25;1-4-34-17-19-35(20-18-34)27-10-7-9-24-25(27)22-36(31(24)37)26(11-8-16-33-30-12-5-6-15-32-30)23-13-14-28(38-2)29(21-23)39-3;/h2*6,8-11,13-14,20-21,28H,5,7,12,15-19,22-23H2,1-4H3;5-7,9-10,12-15,21,26H,4,8,11,16-20,22H2,1-3H3,(H,32,33);1H2/t2*28-;26-;/m111./s1
InChIKeyFYJMOGOCDFCRGH-KCJNZPRZSA-N
XLogP14.57
TPSA211.79 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.19
LogP ≤ 514.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate with MolForge

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Related Compounds

4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine;5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 158801692
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 159069504
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 159741906
4-[4-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]thieno[2,3-b]pyridine;5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-(1-methoxypropan-2-yl)-6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;3-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol;N-(2-morpholin-4-ylethyl)-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol;2-[2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol;1-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 159832705
N,N-diethyl-3-(trifluoromethyl)aniline;5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine;1-(4-hydroxypiperidin-1-yl)-2-[(6-methyl-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone;N-methyl-2-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide;4-[(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol;thieno[2,3-d]pyrimidin-4-amine
CID 159856992
2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
CID 157394651
N-benzyl-3-chloro-N-phenyl-1-benzothiophene-2-carboxamide;(3-chloro-1-benzothiophen-2-yl)-[6,7-dimethoxy-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;3-chloro-N-[1-(furan-2-yl)ethyl]-N-pyridin-2-yl-5,6-dihydro-1-benzothiophene-2-carboxamide;(3-chloro-1H-indol-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 157531292
2-[(1R)-4-[bis(pyridin-4-ylmethyl)amino]-1-(3,4-dimethoxyphenyl)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]thiophene-2-sulfonamide;[(4R)-4-(3,4-dimethoxyphenyl)-4-[7-(4-ethylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]butyl]urea
CID 157899874
2-amino-1-phenylethanone;1-(3-aminopropyl)pyrrolidin-2-one;1-benzylpyrrolidin-3-amine;(2,3-dichlorophenyl)methanamine;2,3-dihydro-1H-inden-2-amine;6,7-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;furan-2-yl(piperazin-1-yl)methanone;3-methyl-N-(3-methylbutyl)butan-1-amine;3-piperidin-4-yl-1H-benzimidazol-2-one;1-pyridin-2-ylpiperazine;1,2,3,4-tetrahydronaphthalen-1-amine;2-thiophen-2-ylethanamine
CID 158011651
2-[[3-(benzylamino)phenyl]-(3,4-dimethoxyphenyl)methyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[(4-ethylpyrimidin-2-yl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[1-(3,4-dimethoxyphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one
CID 159283248
4-(4-benzylpiperazin-1-yl)-2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenoxybutyl]-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-imidazol-1-ylbutyl]-4-piperazin-1-yl-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenylsulfanylbutyl]-4-piperazin-1-yl-3H-isoindol-1-one
CID 159381999
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-carboxamide;N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]-2-pyridin-4-ylacetamide;N-[3-(3,4-dimethoxyphenyl)-3-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]propyl]-2-pyridin-4-ylacetamide
CID 159686751

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate?
The IUPAC name of 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate (CID 158149235) is 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate.
What is the SMILES notation for 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate?
The canonical SMILES for 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate is CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2ccco2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCN(C)Cc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1.CCN1CCN(c2cccc3c2CN([C@H](CCCNc2ccccn2)c2ccc(OC)c(OC)c2)C3=O)CC1.O.
What is the InChIKey of 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate?
The InChIKey is FYJMOGOCDFCRGH-KCJNZPRZSA-N. The full InChI is InChI=1S/C32H42N4O4.C32H42N4O3S.C31H39N5O3.H2O/c2*1-5-34-16-18-35(19-17-34)29-11-6-10-26-27(29)23-36(32(26)37)28(24-13-14-30(38-3)31(21-24)39-4)12-7-15-33(2)22-25-9-8-20-40-25;1-4-34-17-19-35(20-18-34)27-10-7-9-24-25(27)22-36(31(24)37)26(11-8-16-33-30-12-5-6-15-32-30)23-13-14-28(38-2)29(21-23)39-3;/h2*6,8-11,13-14,20-21,28H,5,7,12,15-19,22-23H2,1-4H3;5-7,9-10,12-15,21,26H,4,8,11,16-20,22H2,1-3H3,(H,32,33);1H2/t2*28-;26-;/m111./s1.
What are the key properties of 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate?
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate has a molecular weight of 1657.19 g/mol, XLogP of 14.57, 35 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[furan-2-ylmethyl(methyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(pyridin-2-ylamino)butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;hydrate is sourced from PubChem (CID 158149235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).