About lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate
lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate (PubChem CID 158624498) has the molecular formula C153H191Cl2LiN40O18S
and a molecular weight of 2988.39 g/mol. Its IUPAC name is lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate.
Frequently Asked Questions
What is the IUPAC name of lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate?
The IUPAC name of lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate (CID 158624498) is lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate.
What is the SMILES notation for lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate?
The canonical SMILES for lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate is C.CC[C@H](C)C[C@H](C)n1cnnc1-c1cccc(N)n1.CC[C@H](C)C[C@H](C)n1cnnc1-c1cccc(N)n1.COC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cc1O.COC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cc1OC[C@H](C)C[C@H](C)n1cnnc1-c1cccc(N)n1.C[C@@H](CO)C[C@H](C)n1cnnc1-c1cccc(N)n1.Cc1cc(O)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Cc1cc(OC[C@H](C)C[C@H](C)n2cnnc2-c2cccc(N)n2)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C[C@@H](C)CO2.O.O=S(Cl)Cl.[Li+].[OH-].
What is the InChIKey of lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate?
The InChIKey is HJZPRYPCKHYAFE-VBYQNNOSSA-M. The full InChI is InChI=1S/C28H33N7O3.C27H31N7O3.C27H29N7O2.C15H16N2O3.2C14H21N5.C14H14N2O3.C13H19N5O.CH4.Cl2OS.Li.2H2O/c1-17(10-19(3)35-16-31-33-27(35)22-6-5-7-26(29)32-22)14-38-25-11-18(2)24(12-21(25)28(36)37-4)34-13-23(30-15-34)20-8-9-20;1-16(9-18(3)34-15-30-32-26(34)21-5-4-6-25(28)31-21)13-37-24-10-17(2)23(11-20(24)27(35)36)33-12-22(29-14-33)19-7-8-19;1-16-9-18(3)34-15-29-32-26(34)21-5-4-6-25(30-21)31-27(35)20-11-23(17(2)10-24(20)36-13-16)33-12-22(28-14-33)19-7-8-19;1-9-5-14(18)11(15(19)20-2)6-13(9)17-7-12(16-8-17)10-3-4-10;2*1-4-10(2)8-11(3)19-9-16-18-14(19)12-6-5-7-13(15)17-12;1-8-4-13(17)10(14(18)19)5-12(8)16-6-11(15-7-16)9-2-3-9;1-9(7-19)6-10(2)18-8-15-17-13(18)11-4-3-5-12(14)16-11;;1-4(2)3;;;/h5-7,11-13,15-17,19-20H,8-10,14H2,1-4H3,(H2,29,32);4-6,10-12,14-16,18-19H,7-9,13H2,1-3H3,(H2,28,31)(H,35,36);4-6,10-12,14-16,18-19H,7-9,13H2,1-3H3,(H,30,31,35);5-8,10,18H,3-4H2,1-2H3;2*5-7,9-11H,4,8H2,1-3H3,(H2,15,17);4-7,9,17H,2-3H2,1H3,(H,18,19);3-5,8-10,19H,6-7H2,1-2H3,(H2,14,16);1H4;;;2*1H2/q;;;;;;;;;;+1;;/p-1/t17-,19+;2*16-,18+;;2*10-,11-;;9-,10+;;;;;/m111.00.1...../s1.
What are the key properties of lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate?
lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate has a molecular weight of 2988.39 g/mol, XLogP of 24.38, 43 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentan-1-ol;2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoic acid;(7S,9R)-15-(4-cyclopropylimidazol-1-yl)-7,9,14-trimethyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;methane;methyl 2-[(2R,4S)-4-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]-2-methylpentoxy]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzoate;methyl 5-(4-cyclopropylimidazol-1-yl)-2-hydroxy-4-methylbenzoate;bis(6-[4-[(2S,4S)-4-methylhexan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine);thionyl dichloride;hydroxide;hydrate is sourced from PubChem (CID 158624498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).