lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate

C114H157ClF3LiN26O22Si5 — CID 165044685

IUPAClithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate
SMILESCCOC(=O)c1noc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CNCC21CC1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(C(=O)O)noc4C4(CC4)C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(noc4C(=O)O)C4(CC4)C3)ncnc21.NCCC(F)(F)F.O.[Li+].[OH-]
InChIInChI=1S/2C23H31N5O4Si.2C21H27N5O4Si.C12H18ClN3OSi.C11H14N2O3.C3H6F3N.Li.2H2O/c1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)26-32-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)32-26-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)30-24-17(15)21(11-26)5-6-21;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)24-30-17(15)21(11-26)5-6-21;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)13-16-8;4-3(5,6)1-2-7;;;/h2*6,9,14H,5,7-8,10-13,15H2,1-4H3;2*4,7,12H,5-6,8-11,13H2,1-3H3,(H,27,28);4-5,8H,6-7,9H2,1-3H3;12H,2-6H2,1H3;1-2,7H2;;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyAJEUTKHHERROEX-UHFFFAOYSA-M
MW2483.49 g/mol
LogP16.17
Rot. Bonds38

About lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate

lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate (PubChem CID 165044685) has the molecular formula C114H157ClF3LiN26O22Si5 and a molecular weight of 2483.49 g/mol. Its IUPAC name is lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate
PubChem CID165044685
Molecular FormulaC114H157ClF3LiN26O22Si5
Molecular Weight2483.49 g/mol
Exact Mass2481.06
IUPAC Namelithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate
SMILESCCOC(=O)c1noc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CNCC21CC1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(C(=O)O)noc4C4(CC4)C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(noc4C(=O)O)C4(CC4)C3)ncnc21.NCCC(F)(F)F.O.[Li+].[OH-]
InChIInChI=1S/2C23H31N5O4Si.2C21H27N5O4Si.C12H18ClN3OSi.C11H14N2O3.C3H6F3N.Li.2H2O/c1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)26-32-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)32-26-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)30-24-17(15)21(11-26)5-6-21;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)24-30-17(15)21(11-26)5-6-21;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)13-16-8;4-3(5,6)1-2-7;;;/h2*6,9,14H,5,7-8,10-13,15H2,1-4H3;2*4,7,12H,5-6,8-11,13H2,1-3H3,(H,27,28);4-5,8H,6-7,9H2,1-3H3;12H,2-6H2,1H3;1-2,7H2;;2*1H2/q;;;;;;;+1;;/p-1
InChIKeyAJEUTKHHERROEX-UHFFFAOYSA-M
XLogP16.17
TPSA595.86 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds38
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002483.49
LogP ≤ 516.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate?
The IUPAC name of lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate (CID 165044685) is lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate.
What is the SMILES notation for lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate?
The canonical SMILES for lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate is CCOC(=O)c1noc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CNCC21CC1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(C(=O)O)noc4C4(CC4)C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(noc4C(=O)O)C4(CC4)C3)ncnc21.NCCC(F)(F)F.O.[Li+].[OH-].
What is the InChIKey of lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate?
The InChIKey is AJEUTKHHERROEX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H31N5O4Si.2C21H27N5O4Si.C12H18ClN3OSi.C11H14N2O3.C3H6F3N.Li.2H2O/c1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)26-32-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)32-26-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)30-24-17(15)21(11-26)5-6-21;1-31(2,3)9-8-29-13-25-7-4-14-18(25)22-12-23-19(14)26-10-15-16(20(27)28)24-30-17(15)21(11-26)5-6-21;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)13-16-8;4-3(5,6)1-2-7;;;/h2*6,9,14H,5,7-8,10-13,15H2,1-4H3;2*4,7,12H,5-6,8-11,13H2,1-3H3,(H,27,28);4-5,8H,6-7,9H2,1-3H3;12H,2-6H2,1H3;1-2,7H2;;2*1H2/q;;;;;;;+1;;/p-1.
What are the key properties of lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate?
lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate has a molecular weight of 2483.49 g/mol, XLogP of 16.17, 38 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;3,3,3-trifluoropropan-1-amine;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 165044685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).