About benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride
benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride (PubChem CID 161231540) has the molecular formula C144H185Cl4F10N31O13Si4
and a molecular weight of 3002.40 g/mol. Its IUPAC name is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride.
Frequently Asked Questions
What is the IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride (CID 161231540) is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride.
What is the SMILES notation for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The canonical SMILES for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1C[C@H](Nc2ncnc3[nH]cc(C4CC4(F)F)c23)CC[C@@H]1C.C=Cc1cn(COCC[Si](C)(C)C)c2ncnc(Cl)c12.C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C4CC4(F)F)c23)CN1.C[C@H]1CC[C@@H](Nc2ncnc3[nH]cc(C4CC4(F)F)c23)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2ncnc3c2c(C2CC2(F)F)cn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1cc(C2CC2(F)F)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(C=O)c2c(Cl)ncnc21.
What is the InChIKey of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
The InChIKey is UYUUMWPBTJAARY-UWDCZBBHSA-N. The full InChI is InChI=1S/C29H39F2N5O3Si.C23H25F2N5O2.C18H21F2N5O.C15H20ClF2N3OSi.C15H19F2N5.C14H20ClN3OSi.C14H20N2O2.C13H18ClN3O2Si.C3H3ClO/c1-20-10-11-22(15-36(20)28(37)39-17-21-8-6-5-7-9-21)34-26-25-23(24-14-29(24,30)31)16-35(27(25)33-18-32-26)19-38-12-13-40(2,3)4;1-14-7-8-16(11-30(14)22(31)32-12-15-5-3-2-4-6-15)29-21-19-17(18-9-23(18,24)25)10-26-20(19)27-13-28-21;1-3-14(26)25-8-11(5-4-10(25)2)24-17-15-12(13-6-18(13,19)20)7-21-16(15)22-9-23-17;1-23(2,3)5-4-22-9-21-7-10(11-6-15(11,17)18)12-13(16)19-8-20-14(12)21;1-8-2-3-9(5-18-8)22-14-12-10(11-4-15(11,16)17)6-19-13(12)20-7-21-14;1-5-11-8-18(10-19-6-7-20(2,3)4)14-12(11)13(15)16-9-17-14;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;1-20(2,3)5-4-19-9-17-6-10(7-18)11-12(14)15-8-16-13(11)17;1-2-3(4)5/h5-9,16,18,20,22,24H,10-15,17,19H2,1-4H3,(H,32,33,34);2-6,10,13-14,16,18H,7-9,11-12H2,1H3,(H2,26,27,28,29);3,7,9-11,13H,1,4-6,8H2,2H3,(H2,21,22,23,24);7-8,11H,4-6,9H2,1-3H3;6-9,11,18H,2-5H2,1H3,(H2,19,20,21,22);5,8-9H,1,6-7,10H2,2-4H3;2-6,11,13H,7-10,15H2,1H3;6-8H,4-5,9H2,1-3H3;2H,1H2/t20-,22+,24?;14-,16+,18?;10-,11+,13?;;8-,9+,11?;;11-,13+;;/m000.0.0../s1.
What are the key properties of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride?
benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride has a molecular weight of 3002.40 g/mol, XLogP of 31.68, 43 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate;2-[[4-chloro-5-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde;5-(2,2-difluorocyclopropyl)-N-[(3R,6S)-6-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;1-[(2S,5R)-5-[[5-(2,2-difluorocyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]prop-2-en-1-one;prop-2-enoyl chloride is sourced from PubChem (CID 161231540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).