tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride

C53H68ClN7O9Si — CID 159547494

IUPACtert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc3c2cnn3C2CCCCO2)C1.Cl.O=C(Nc1cc(-c2ccc(O)cc2)cc2c1C=NC2)[C@H]1CNCCO1
InChIInChI=1S/C34H48N4O6Si.C19H19N3O3.ClH/c1-33(2,3)43-32(40)37-16-18-41-29(22-37)31(39)36-27-19-24(20-28-26(27)21-35-38(28)30-11-9-10-17-42-30)23-12-14-25(15-13-23)44-45(7,8)34(4,5)6;23-15-3-1-12(2-4-15)13-7-14-9-21-10-16(14)17(8-13)22-19(24)18-11-20-5-6-25-18;/h12-15,19-21,29-30H,9-11,16-18,22H2,1-8H3,(H,36,39);1-4,7-8,10,18,20,23H,5-6,9,11H2,(H,22,24);1H/t29-,30?;18-;/m11./s1
InChIKeyKXDYRGIHMZOYMJ-KAUURLPJSA-N
MW1010.71 g/mol
LogP9.70
Rot. Bonds9

About tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride

tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 159547494) has the molecular formula C53H68ClN7O9Si and a molecular weight of 1010.71 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID159547494
Molecular FormulaC53H68ClN7O9Si
Molecular Weight1010.71 g/mol
Exact Mass1009.45
IUPAC Nametert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc3c2cnn3C2CCCCO2)C1.Cl.O=C(Nc1cc(-c2ccc(O)cc2)cc2c1C=NC2)[C@H]1CNCCO1
InChIInChI=1S/C34H48N4O6Si.C19H19N3O3.ClH/c1-33(2,3)43-32(40)37-16-18-41-29(22-37)31(39)36-27-19-24(20-28-26(27)21-35-38(28)30-11-9-10-17-42-30)23-12-14-25(15-13-23)44-45(7,8)34(4,5)6;23-15-3-1-12(2-4-15)13-7-14-9-21-10-16(14)17(8-13)22-19(24)18-11-20-5-6-25-18;/h12-15,19-21,29-30H,9-11,16-18,22H2,1-8H3,(H,36,39);1-4,7-8,10,18,20,23H,5-6,9,11H2,(H,22,24);1H/t29-,30?;18-;/m11./s1
InChIKeyKXDYRGIHMZOYMJ-KAUURLPJSA-N
XLogP9.70
TPSA187.10 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001010.71
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[7-[2-(azetidin-3-yl)propan-2-yloxy]-3H-isoindol-5-yl]-2-chlorophenol;tert-butyl 3-[2-[6-(3-chloro-4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxypropan-2-yl]azetidine-1-carboxylate
CID 159801102
tert-butyl N-[3-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxetan-2-yl]-N-methylcarbamate
CID 175416089
N-cyclopropylmorpholine-2-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid;2,2,2-trifluoroacetaldehyde
CID 158221455
tert-butyl (3S)-3-[[6-bromo-1-(oxan-2-yl)indazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 154980153
3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
CID 175009264
tert-butyl 2-(cyclopropylcarbamoyl)morpholine-4-carboxylate
CID 59494690
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
tert-butyl (2R)-2-[(1S)-2-[[4-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]-2-oxobutyl]amino]-1-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]morpholine-4-carboxylate
CID 171613400
tert-butyl 6-[6-chloro-1-(oxan-2-yl)indazol-4-yl]-6-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 154696835
tert-butyl (2R)-2-[(4-cyano-2,5-difluorophenyl)carbamoyl]morpholine-4-carboxylate
CID 130221249
[3-bromo-1-(oxan-2-yl)indazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 169448982
tert-butyl 2-[1-[4-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]butoxy]ethyl]morpholine-4-carboxylate
CID 171613149

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride (CID 159547494) is tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride is CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)cc3c2cnn3C2CCCCO2)C1.Cl.O=C(Nc1cc(-c2ccc(O)cc2)cc2c1C=NC2)[C@H]1CNCCO1.
What is the InChIKey of tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is KXDYRGIHMZOYMJ-KAUURLPJSA-N. The full InChI is InChI=1S/C34H48N4O6Si.C19H19N3O3.ClH/c1-33(2,3)43-32(40)37-16-18-41-29(22-37)31(39)36-27-19-24(20-28-26(27)21-35-38(28)30-11-9-10-17-42-30)23-12-14-25(15-13-23)44-45(7,8)34(4,5)6;23-15-3-1-12(2-4-15)13-7-14-9-21-10-16(14)17(8-13)22-19(24)18-11-20-5-6-25-18;/h12-15,19-21,29-30H,9-11,16-18,22H2,1-8H3,(H,36,39);1-4,7-8,10,18,20,23H,5-6,9,11H2,(H,22,24);1H/t29-,30?;18-;/m11./s1.
What are the key properties of tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride?
tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 1010.71 g/mol, XLogP of 9.70, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[6-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-(oxan-2-yl)indazol-4-yl]carbamoyl]morpholine-4-carboxylate;(2R)-N-[6-(4-hydroxyphenyl)-1H-isoindol-4-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 159547494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).