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

C74H99BrN12O12Si2 — CID 159686846

IUPACazane;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
SMILESCC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CCN)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(CCCO)c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C20H17N3O3.C18H31N3OSi.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-15-10-5-4-9-14(15)18(22-23)17-16(19(25)21-20(17)26)13-7-2-1-3-8-13;1-18(2,3)23(4,5)22-14-8-13-21-17-10-7-6-9-15(17)16(20-21)11-12-19;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;;/h1-5,7-10,24H,6,11-12H2,(H,21,25,26);6-7,9-10H,8,11-14,19H2,1-5H3;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
InChIKeyVAEIWTNGWZTKBG-UHFFFAOYSA-N
MW1484.75 g/mol
LogP11.89
Rot. Bonds22

About 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

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 (PubChem CID 159686846) has the molecular formula C74H99BrN12O12Si2 and a molecular weight of 1484.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazane;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
PubChem CID159686846
Molecular FormulaC74H99BrN12O12Si2
Molecular Weight1484.75 g/mol
Exact Mass1482.62
IUPAC Nameazane;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
SMILESCC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CCN)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(CCCO)c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C20H17N3O3.C18H31N3OSi.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-15-10-5-4-9-14(15)18(22-23)17-16(19(25)21-20(17)26)13-7-2-1-3-8-13;1-18(2,3)23(4,5)22-14-8-13-21-17-10-7-6-9-15(17)16(20-21)11-12-19;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;;/h1-5,7-10,24H,6,11-12H2,(H,21,25,26);6-7,9-10H,8,11-14,19H2,1-5H3;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
InChIKeyVAEIWTNGWZTKBG-UHFFFAOYSA-N
XLogP11.89
TPSA394.14 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.75
LogP ≤ 511.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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
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
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
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-ylindol-3-yl)-2-oxoacetate
CID 161311309
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;methane;methyl 2-oxo-2-phenylacetate;hydrate
CID 161750142
3-bromopropanenitrile;2-(2H-indazol-3-yl)acetic acid;methyl 2-(2H-indazol-3-yl)acetate;methyl 4-isocyano-2-methyl-2-(1-methylindazol-3-yl)butanoate;methyl 2-(1-methylindazol-3-yl)acetate;3-methyl-3-(1-methylindazol-3-yl)piperidine-2,6-dione;methyl 2-(1-methylindazol-3-yl)propanoate
CID 167619546

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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)OCCCBr.CC(C)(C)[Si](C)(C)OCCCn1nc(CCN)c2ccccc21.COC(=O)C(=O)c1ccccc1.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.O=C1NC(=O)C(c2nn(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]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?
The InChIKey is VAEIWTNGWZTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C18H31N3OSi.C9H21BrOSi.C9H9N3O.C9H8N2O2.C9H8O3.H3N.H2O/c24-12-6-11-23-15-10-5-4-9-14(15)18(22-23)17-16(19(25)21-20(17)26)13-7-2-1-3-8-13;1-18(2,3)23(4,5)22-14-8-13-21-17-10-7-6-9-15(17)16(20-21)11-12-19;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;;/h1-5,7-10,24H,6,11-12H2,(H,21,25,26);6-7,9-10H,8,11-14,19H2,1-5H3;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]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?
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 has a molecular weight of 1484.75 g/mol, XLogP of 11.89, 22 rotatable bonds, 8 hydrogen bond donors, and 18 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]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 is sourced from PubChem (CID 159686846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).