azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate

C75H98BrN11O13Si2 — CID 158235468

IUPACazane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
SMILESCC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C21H18N2O3.C18H29N3O2Si.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-13-16(15-9-4-5-10-17(15)23)19-18(20(25)22-21(19)26)14-7-2-1-3-8-14;1-18(2,3)24(4,5)23-12-8-11-21-16-10-7-6-9-14(16)15(20-21)13-17(19)22;1-9(2,3)12(4,5)11-8-6-7-10;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;1-12-9(11)8(10)7-5-3-2-4-6-7;;/h1-5,7-10,13,24H,6,11-12H2,(H,22,25,26);6-7,9-10H,8,11-13H2,1-5H3,(H2,19,22);6-8H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);2-6H,1H3;1H3;1H2
InChIKeyOUXACODYQKUJER-UHFFFAOYSA-N
MW1497.75 g/mol
LogP12.02
Rot. Bonds22

About azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate

azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate (PubChem CID 158235468) has the molecular formula C75H98BrN11O13Si2 and a molecular weight of 1497.75 g/mol. Its IUPAC name is azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate.

Molecular Properties

Compound Nameazane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
PubChem CID158235468
Molecular FormulaC75H98BrN11O13Si2
Molecular Weight1497.75 g/mol
Exact Mass1495.61
IUPAC Nameazane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
SMILESCC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C21H18N2O3.C18H29N3O2Si.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-13-16(15-9-4-5-10-17(15)23)19-18(20(25)22-21(19)26)14-7-2-1-3-8-14;1-18(2,3)24(4,5)23-12-8-11-21-16-10-7-6-9-14(16)15(20-21)13-17(19)22;1-9(2,3)12(4,5)11-8-6-7-10;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;1-12-9(11)8(10)7-5-3-2-4-6-7;;/h1-5,7-10,13,24H,6,11-12H2,(H,22,25,26);6-7,9-10H,8,11-13H2,1-5H3,(H2,19,22);6-8H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);2-6H,1H3;1H3;1H2
InChIKeyOUXACODYQKUJER-UHFFFAOYSA-N
XLogP12.02
TPSA398.32 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001497.75
LogP ≤ 512.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate
CID 157769437
3-Bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indazol-3-yl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methane;methyl 2-(1-naphthalen-2-ylindazol-3-yl)-2-oxoacetate
CID 157913556
3-Bromopropoxy-tert-butyl-dimethylsilane;2-[2-(2-chloroethoxy)ethoxy]ethanol;3-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]indol-3-yl]-4-[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;2-[1-[2-(2-hydroxyethoxy)ethoxymethyl]indol-3-yl]acetamide;methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]-2-oxoacetate
CID 158326080
tert-butyl-[2-(2-chloroethoxy)ethoxy]-dimethylsilane;2-(2-chloroethoxy)ethanol;2-[1-[2-(2-hydroxyethoxy)ethyl]indazol-3-yl]acetamide;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-[1-(2-propoxyethyl)indol-3-yl]acetate
CID 158415728
3-Bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[2-(3-hydroxypropylamino)benzenecarboximidoyl]-4-(1-naphthalen-2-ylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-naphthalen-2-ylindol-3-yl)-2-oxoacetate
CID 158680072
azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indazol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
CID 158837416
CID 158961873
CID 158961873
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methane;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159237021
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159311513
azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]ethanamine;3-[1-(3-hydroxypropyl)indazol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate
CID 159686846
2-[3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-1-yl]acetamide;3-[3-(3-hydroxypropyl)indol-1-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 159995670
3-[1-(3-hydroxypropyl)indol-3-yl]-4-indol-1-ylpyrrole-2,5-dione;2-indol-1-ylacetamide;bis(methyl 2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indol-3-yl]-2-oxoacetate);methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 160279569

Frequently Asked Questions

What is the IUPAC name of azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate?
The IUPAC name of azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate (CID 158235468) is azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate.
What is the SMILES notation for azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate?
The canonical SMILES for azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate is CC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1ccccc1.
What is the InChIKey of azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate?
The InChIKey is OUXACODYQKUJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3.C18H29N3O2Si.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-13-16(15-9-4-5-10-17(15)23)19-18(20(25)22-21(19)26)14-7-2-1-3-8-14;1-18(2,3)24(4,5)23-12-8-11-21-16-10-7-6-9-14(16)15(20-21)13-17(19)22;1-9(2,3)12(4,5)11-8-6-7-10;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;1-12-9(11)8(10)7-5-3-2-4-6-7;;/h1-5,7-10,13,24H,6,11-12H2,(H,22,25,26);6-7,9-10H,8,11-13H2,1-5H3,(H2,19,22);6-8H2,1-5H3;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);2-6H,1H3;1H3;1H2.
What are the key properties of azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate?
azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate has a molecular weight of 1497.75 g/mol, XLogP of 12.02, 22 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-bromopropoxy-tert-butyl-dimethylsilane;2-[1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]indazol-3-yl]acetamide;3-[1-(3-hydroxypropyl)indol-3-yl]-4-phenylpyrrole-2,5-dione;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methyl 2-oxo-2-phenylacetate;hydrate is sourced from PubChem (CID 158235468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).