About lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide
lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide (PubChem CID 158769845) has the molecular formula C136H173BrCl5F4LiN24O15
and a molecular weight of 2724.13 g/mol. Its IUPAC name is lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide?
The IUPAC name of lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide (CID 158769845) is lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide.
What is the SMILES notation for lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide?
The canonical SMILES for lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide is COC(=O)C/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Nc1c(C)ccnc1C(C)C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C.COC(=O)CBr.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1Nc1nc(-c2ccccc2F)c(Cl)cc1/C(=N/CC(=O)O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C.[H]/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Cl)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C.[H]/N=C(/c1cc(Cl)c(-c2ccccc2F)nc1Nc1c(C)ccnc1C(C)C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C.[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide?
The InChIKey is IPSMIMAMKQPGDC-JOCUJHNFSA-M. The full InChI is InChI=1S/C35H44ClFN6O4.C34H42ClFN6O4.C32H40ClFN6O2.C23H27Cl2FN4O2.C9H14N2.C3H5BrO2.Li.H2O/c1-20(2)29-30(21(3)14-15-38-29)40-32-25(16-26(36)31(41-32)24-12-10-11-13-27(24)37)33(39-17-28(44)46-9)42-18-23(5)43(19-22(42)4)34(45)47-35(6,7)8;1-19(2)28-29(20(3)13-14-37-28)39-31-24(15-25(35)30(40-31)23-11-9-10-12-26(23)36)32(38-16-27(43)44)41-17-22(5)42(18-21(41)4)33(45)46-34(6,7)8;1-18(2)26-27(19(3)13-14-36-26)37-30-23(15-24(33)28(38-30)22-11-9-10-12-25(22)34)29(35)39-16-21(5)40(17-20(39)4)31(41)42-32(6,7)8;1-13-12-30(22(31)32-23(3,4)5)14(2)11-29(13)21(27)16-10-17(24)19(28-20(16)25)15-8-6-7-9-18(15)26;1-6(2)9-8(10)7(3)4-5-11-9;1-6-3(5)2-4;;/h10-16,20,22-23H,17-19H2,1-9H3,(H,40,41);9-15,19,21-22H,16-18H2,1-8H3,(H,39,40)(H,43,44);9-15,18,20-21,35H,16-17H2,1-8H3,(H,37,38);6-10,13-14,27H,11-12H2,1-5H3;4-6H,10H2,1-3H3;2H2,1H3;;1H2/q;;;;;;+1;/p-1/b39-33-;38-32-;35-29-;27-21-;;;;/t22-,23+;21-,22+;20-,21+;13-,14+;;;;/m0000..../s1.
What are the key properties of lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide?
lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide has a molecular weight of 2724.13 g/mol, XLogP of 27.73, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl (2R,5S)-4-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[C-[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-N-(2-methoxy-2-oxoethyl)carbonimidoyl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;2-[[[5-chloro-6-(2-fluorophenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]-3-pyridinyl]-[(2S,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methylidene]amino]acetic acid;methyl 2-bromoacetate;4-methyl-2-propan-2-ylpyridin-3-amine;hydroxide is sourced from PubChem (CID 158769845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).