About lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride
lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride (PubChem CID 157298727) has the molecular formula C131H184AlBrCl4F17LiN22O23
and a molecular weight of 3013.65 g/mol. Its IUPAC name is lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride.
Frequently Asked Questions
What is the IUPAC name of lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride?
The IUPAC name of lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride (CID 157298727) is lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride.
What is the SMILES notation for lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride?
The canonical SMILES for lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride is C=CC(=O)Cl.COC(=O)[C@@H]1C[C@@H](F)CN1.COC(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C.COCCBr.COCCN1C[C@H](F)C[C@H]1C(=O)OC.COCCN1C[C@H](F)C[C@H]1CO.COCCN1C[C@H](F)C[C@H]1CO.COCCN1C[C@H](F)C[C@H]1COc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1.COCCN1C[C@H](F)C[C@H]1COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3nc(C)ccc3C(F)(F)F)cc2n1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(F)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride?
The InChIKey is IKCKCHSVBOZPCP-XQHPPLNGSA-N. The full InChI is InChI=1S/C32H39ClF4N6O4.C27H31ClF4N6O2.C24H24ClF4N5O2.C11H18FNO4.C9H16FNO3.2C8H16FNO2.C6H10FNO2.C3H7BrO.C3H3ClO.Al.Li.4H/c1-19-6-7-24(32(35,36)37)27(38-19)22-16-26-23(15-25(22)33)28(41-8-10-42(11-9-41)30(44)47-31(2,3)4)40-29(39-26)46-18-21-14-20(34)17-43(21)12-13-45-5;1-39-10-9-38-14-16(29)11-17(38)15-40-26-34-22-13-18(24-20(27(30,31)32)5-6-23(33)35-24)21(28)12-19(22)25(36-26)37-7-3-2-4-8-37;1-13-5-6-16(24(27,28)29)19(30-13)14-12-18-15(11-17(14)25)20(32-21(26)31-18)33-7-9-34(10-8-33)22(35)36-23(2,3)4;1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4;1-13-4-3-11-6-7(10)5-8(11)9(12)14-2;2*1-12-3-2-10-5-7(9)4-8(10)6-11;1-10-6(9)5-2-4(7)3-8-5;1-5-3-2-4;1-2-3(4)5;;;;;;/h6-7,15-16,20-21H,8-14,17-18H2,1-5H3;5-6,12-13,16-17H,2-4,7-11,14-15H2,1H3,(H2,33,35);5-6,11-12H,7-10H2,1-4H3;7-8H,5-6H2,1-4H3;7-8H,3-6H2,1-2H3;2*7-8,11H,2-6H2,1H3;4-5,8H,2-3H2,1H3;2-3H2,1H3;2H,1H2;;;;;;/q;;;;;;;;;;;+1;;;;-1/t20-,21+;16-,17+;;4*7-,8+;4-,5+;;;;;;;;/m11.11111......../s1.
What are the key properties of lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride?
lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride has a molecular weight of 3013.65 g/mol, XLogP of 16.97, 35 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;1-bromo-2-methoxyethane;tert-butyl 4-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-fluoropyrrolidine-1,2-dicarboxylate;6-[6-chloro-2-[[(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis([(2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-yl]methanol);hydride;methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate;methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;prop-2-enoyl chloride is sourced from PubChem (CID 157298727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).