(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride

C138H194Cl6F3N31O21S4Si — CID 161193512

IUPAC(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1CO.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.CC[C@@H]1C[C@@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CN1C.CN1C[C@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)C[C@H]1CO.Cl.O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(Cl)c12.O=CC(F)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.[2H]CC.[2H]CC
InChIInChI=1S/C26H26ClN5O2.C25H24ClN5O3.C19H11Cl2N3O2.C16H19ClSi.C11H20N4O2.C10H18N4O3.C7H14N4.C7H16N2.C6H12N4.C2HF3O.2C2H6.5CH4.ClH.4O2S/c1-3-17-11-16(14-32(17)2)31-26-23-21(13-28-25(23)29-15-30-26)24(33)20-10-9-19(12-22(20)27)34-18-7-5-4-6-8-18;1-31-12-15(9-16(31)13-32)30-25-22-20(11-27-24(22)28-14-29-25)23(33)19-8-7-18(10-21(19)26)34-17-5-3-2-4-6-17;20-15-8-12(26-11-4-2-1-3-5-11)6-7-13(15)17(25)14-9-22-19-16(14)18(21)23-10-24-19;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-5-9-6-8(13-14-12)7-15(9)10(16)17-11(2,3)4;1-10(2,3)17-9(16)14-5-7(12-13-11)4-8(14)6-15;1-3-7-4-6(9-10-8)5-11(7)2;1-3-7-4-6(8)5-9(7)2;1-2-5-3-6(4-8-5)9-10-7;3-2(4,5)1-6;2*1-2;;;;;;;4*1-3-2/h4-10,12-13,15-17H,3,11,14H2,1-2H3,(H2,28,29,30,31);2-8,10-11,14-16,32H,9,12-13H2,1H3,(H2,27,28,29,30);1-10H,(H,22,23,24);4-13H,1-3H3;8-9H,5-7H2,1-4H3;7-8,15H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-6,8H,2-4H2,1H3;1H;2*1-2H3;5*1H4;1H;;;;/t16-,17-;15-,16+;;;8-,9-;7-,8+;2*6-,7-;5-,6-;;;;;;;;;;;;;/m11..11111............./s1/i;;;;;;;;;;2*1D;;;;;;;;;;
InChIKeyWEWQFNIDAHGHFL-SFVTWJPOSA-N
MW3051.34 g/mol
LogP30.83
Rot. Bonds29

About (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride

(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride (PubChem CID 161193512) has the molecular formula C138H194Cl6F3N31O21S4Si and a molecular weight of 3051.34 g/mol. Its IUPAC name is (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride
PubChem CID161193512
Molecular FormulaC138H194Cl6F3N31O21S4Si
Molecular Weight3051.34 g/mol
Exact Mass3046.19
IUPAC Name(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1CO.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.CC[C@@H]1C[C@@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CN1C.CN1C[C@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)C[C@H]1CO.Cl.O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(Cl)c12.O=CC(F)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.[2H]CC.[2H]CC
InChIInChI=1S/C26H26ClN5O2.C25H24ClN5O3.C19H11Cl2N3O2.C16H19ClSi.C11H20N4O2.C10H18N4O3.C7H14N4.C7H16N2.C6H12N4.C2HF3O.2C2H6.5CH4.ClH.4O2S/c1-3-17-11-16(14-32(17)2)31-26-23-21(13-28-25(23)29-15-30-26)24(33)20-10-9-19(12-22(20)27)34-18-7-5-4-6-8-18;1-31-12-15(9-16(31)13-32)30-25-22-20(11-27-24(22)28-14-29-25)23(33)19-8-7-18(10-21(19)26)34-17-5-3-2-4-6-17;20-15-8-12(26-11-4-2-1-3-5-11)6-7-13(15)17(25)14-9-22-19-16(14)18(21)23-10-24-19;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-5-9-6-8(13-14-12)7-15(9)10(16)17-11(2,3)4;1-10(2,3)17-9(16)14-5-7(12-13-11)4-8(14)6-15;1-3-7-4-6(9-10-8)5-11(7)2;1-3-7-4-6(8)5-9(7)2;1-2-5-3-6(4-8-5)9-10-7;3-2(4,5)1-6;2*1-2;;;;;;;4*1-3-2/h4-10,12-13,15-17H,3,11,14H2,1-2H3,(H2,28,29,30,31);2-8,10-11,14-16,32H,9,12-13H2,1H3,(H2,27,28,29,30);1-10H,(H,22,23,24);4-13H,1-3H3;8-9H,5-7H2,1-4H3;7-8,15H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-6,8H,2-4H2,1H3;1H;2*1-2H3;5*1H4;1H;;;;/t16-,17-;15-,16+;;;8-,9-;7-,8+;2*6-,7-;5-,6-;;;;;;;;;;;;;/m11..11111............./s1/i;;;;;;;;;;2*1D;;;;;;;;;;
InChIKeyWEWQFNIDAHGHFL-SFVTWJPOSA-N
XLogP30.83
TPSA726.89 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003051.34
LogP ≤ 530.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride?
The IUPAC name of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride (CID 161193512) is (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride.
What is the SMILES notation for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride?
The canonical SMILES for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride is C.C.C.C.C.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1CO.CC(C)(C)[Si](Cl)(c1ccccc1)c1ccccc1.CC[C@@H]1C[C@@H](N)CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C.CC[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)OC(C)(C)C.CC[C@@H]1C[C@@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)CN1C.CN1C[C@H](Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23)C[C@H]1CO.Cl.O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(Cl)c12.O=CC(F)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.[2H]CC.[2H]CC.
What is the InChIKey of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride?
The InChIKey is WEWQFNIDAHGHFL-SFVTWJPOSA-N. The full InChI is InChI=1S/C26H26ClN5O2.C25H24ClN5O3.C19H11Cl2N3O2.C16H19ClSi.C11H20N4O2.C10H18N4O3.C7H14N4.C7H16N2.C6H12N4.C2HF3O.2C2H6.5CH4.ClH.4O2S/c1-3-17-11-16(14-32(17)2)31-26-23-21(13-28-25(23)29-15-30-26)24(33)20-10-9-19(12-22(20)27)34-18-7-5-4-6-8-18;1-31-12-15(9-16(31)13-32)30-25-22-20(11-27-24(22)28-14-29-25)23(33)19-8-7-18(10-21(19)26)34-17-5-3-2-4-6-17;20-15-8-12(26-11-4-2-1-3-5-11)6-7-13(15)17(25)14-9-22-19-16(14)18(21)23-10-24-19;1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-5-9-6-8(13-14-12)7-15(9)10(16)17-11(2,3)4;1-10(2,3)17-9(16)14-5-7(12-13-11)4-8(14)6-15;1-3-7-4-6(9-10-8)5-11(7)2;1-3-7-4-6(8)5-9(7)2;1-2-5-3-6(4-8-5)9-10-7;3-2(4,5)1-6;2*1-2;;;;;;;4*1-3-2/h4-10,12-13,15-17H,3,11,14H2,1-2H3,(H2,28,29,30,31);2-8,10-11,14-16,32H,9,12-13H2,1H3,(H2,27,28,29,30);1-10H,(H,22,23,24);4-13H,1-3H3;8-9H,5-7H2,1-4H3;7-8,15H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;6-7H,3-5,8H2,1-2H3;5-6,8H,2-4H2,1H3;1H;2*1-2H3;5*1H4;1H;;;;/t16-,17-;15-,16+;;;8-,9-;7-,8+;2*6-,7-;5-,6-;;;;;;;;;;;;;/m11..11111............./s1/i;;;;;;;;;;2*1D;;;;;;;;;;.
What are the key properties of (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride?
(2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride has a molecular weight of 3051.34 g/mol, XLogP of 30.83, 29 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-azido-2-ethyl-1-methylpyrrolidine;(2R,4R)-4-azido-2-ethylpyrrolidine;tert-butyl (2R,4R)-4-azido-2-ethylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-azido-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl-chloro-diphenylsilane;(2-chloro-4-phenoxyphenyl)-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5R)-5-ethyl-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;(2-chloro-4-phenoxyphenyl)-[4-[[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;deuterioethane;(3R,5R)-5-ethyl-1-methylpyrrolidin-3-amine;methane;tetrakis(sulfur dioxide);2,2,2-trifluoroacetaldehyde;hydrochloride is sourced from PubChem (CID 161193512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).