lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate

C173H175Cl15F10LiN33O43 — CID 163615886

IUPAClithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate
SMILESC.COC(=O)Cl.COC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc(NC[C@@H]2CCO2)c(N)cn1.COC(=O)c1cc(NC[C@@H]2CCO2)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc2c(cn1)nc(CCl)n2C[C@@H]1CCO1.COC(=O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(C2=CCNCC2)n1.NC[C@@H]1CCO1.O.O=C(CCl)OC(=O)CCl.O=C(O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.OC(C(F)(F)F)C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C30H29ClFN5O4.2C29H27ClFN5O4.C17H16ClFN2O.C13H14ClN3O3.C11H12ClN3O5.C11H15N3O3.C7H4Cl2N2O4.C6H2Cl2N2O4.C6H4Cl2N2O2.C4H4Cl2O3.C4H9NO.C3H2F6O.C2H3ClO2.CH4.Li.2H2O/c1-39-30(38)25-14-27-26(15-33-25)34-28(37(27)16-22-9-12-40-22)17-36-10-7-19(8-11-36)24-3-2-4-29(35-24)41-18-20-5-6-21(31)13-23(20)32;2*30-20-5-4-19(22(31)12-20)17-40-28-3-1-2-23(34-28)18-6-9-35(10-7-18)16-27-33-25-14-32-24(29(37)38)13-26(25)36(27)15-21-8-11-39-21;18-14-5-4-13(15(19)10-14)11-22-17-3-1-2-16(21-17)12-6-8-20-9-7-12;1-19-13(18)9-4-11-10(6-15-9)16-12(5-14)17(11)7-8-2-3-20-8;1-19-11(16)8-4-7(13-5-6-2-3-20-6)9(15(17)18)10(12)14-8;1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7;1-15-7(12)4-2-3(8)5(11(13)14)6(9)10-4;7-2-1-3(6(11)12)9-5(8)4(2)10(13)14;1-3-2-4(7)5(10(11)12)6(8)9-3;5-1-3(7)9-4(8)2-6;5-3-4-1-2-6-4;4-2(5,6)1(10)3(7,8)9;1-5-2(3)4;;;;/h2-7,13-15,22H,8-12,16-18H2,1H3;2*1-6,12-14,21H,7-11,15-17H2,(H,37,38);1-6,10,20H,7-9,11H2;4,6,8H,2-3,5,7H2,1H3;4,6H,2-3,5H2,1H3,(H,13,14);4,6-7H,2-3,5,12H2,1H3,(H,13,14);2H,1H3;1H,(H,11,12);2H,1H3;1-2H2;4H,1-3,5H2;1,10H;1H3;1H4;;2*1H2/q;;;;;;;;;;;;;;;+1;;/p-1/t22-;2*21-;;8-;6-;7-;;;;;4-;;;;;;/m000.000....0....../s1
InChIKeyAQJWZRSVLGPETO-YARPBMKWSA-M
MW4133.21 g/mol
LogP28.92
Rot. Bonds52

About lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate

lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate (PubChem CID 163615886) has the molecular formula C173H175Cl15F10LiN33O43 and a molecular weight of 4133.21 g/mol. Its IUPAC name is lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate
PubChem CID163615886
Molecular FormulaC173H175Cl15F10LiN33O43
Molecular Weight4133.21 g/mol
Exact Mass4123.78
IUPAC Namelithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate
SMILESC.COC(=O)Cl.COC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc(NC[C@@H]2CCO2)c(N)cn1.COC(=O)c1cc(NC[C@@H]2CCO2)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc2c(cn1)nc(CCl)n2C[C@@H]1CCO1.COC(=O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(C2=CCNCC2)n1.NC[C@@H]1CCO1.O.O=C(CCl)OC(=O)CCl.O=C(O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.OC(C(F)(F)F)C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C30H29ClFN5O4.2C29H27ClFN5O4.C17H16ClFN2O.C13H14ClN3O3.C11H12ClN3O5.C11H15N3O3.C7H4Cl2N2O4.C6H2Cl2N2O4.C6H4Cl2N2O2.C4H4Cl2O3.C4H9NO.C3H2F6O.C2H3ClO2.CH4.Li.2H2O/c1-39-30(38)25-14-27-26(15-33-25)34-28(37(27)16-22-9-12-40-22)17-36-10-7-19(8-11-36)24-3-2-4-29(35-24)41-18-20-5-6-21(31)13-23(20)32;2*30-20-5-4-19(22(31)12-20)17-40-28-3-1-2-23(34-28)18-6-9-35(10-7-18)16-27-33-25-14-32-24(29(37)38)13-26(25)36(27)15-21-8-11-39-21;18-14-5-4-13(15(19)10-14)11-22-17-3-1-2-16(21-17)12-6-8-20-9-7-12;1-19-13(18)9-4-11-10(6-15-9)16-12(5-14)17(11)7-8-2-3-20-8;1-19-11(16)8-4-7(13-5-6-2-3-20-6)9(15(17)18)10(12)14-8;1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7;1-15-7(12)4-2-3(8)5(11(13)14)6(9)10-4;7-2-1-3(6(11)12)9-5(8)4(2)10(13)14;1-3-2-4(7)5(10(11)12)6(8)9-3;5-1-3(7)9-4(8)2-6;5-3-4-1-2-6-4;4-2(5,6)1(10)3(7,8)9;1-5-2(3)4;;;;/h2-7,13-15,22H,8-12,16-18H2,1H3;2*1-6,12-14,21H,7-11,15-17H2,(H,37,38);1-6,10,20H,7-9,11H2;4,6,8H,2-3,5,7H2,1H3;4,6H,2-3,5H2,1H3,(H,13,14);4,6-7H,2-3,5,12H2,1H3,(H,13,14);2H,1H3;1H,(H,11,12);2H,1H3;1-2H2;4H,1-3,5H2;1,10H;1H3;1H4;;2*1H2/q;;;;;;;;;;;;;;;+1;;/p-1/t22-;2*21-;;8-;6-;7-;;;;;4-;;;;;;/m000.000....0....../s1
InChIKeyAQJWZRSVLGPETO-YARPBMKWSA-M
XLogP28.92
TPSA1005.59 Ų
H-Bond Donors9
H-Bond Acceptors68
Rotatable Bonds52
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004133.21
LogP ≤ 528.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1068

Analyze lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate?
The IUPAC name of lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate (CID 163615886) is lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate.
What is the SMILES notation for lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate?
The canonical SMILES for lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate is C.COC(=O)Cl.COC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc(NC[C@@H]2CCO2)c(N)cn1.COC(=O)c1cc(NC[C@@H]2CCO2)c([N+](=O)[O-])c(Cl)n1.COC(=O)c1cc2c(cn1)nc(CCl)n2C[C@@H]1CCO1.COC(=O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1.Fc1cc(Cl)ccc1COc1cccc(C2=CCNCC2)n1.NC[C@@H]1CCO1.O.O=C(CCl)OC(=O)CCl.O=C(O)c1cc(Cl)c([N+](=O)[O-])c(Cl)n1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.O=C(O)c1cc2c(cn1)nc(CN1CC=C(c3cccc(OCc4ccc(Cl)cc4F)n3)CC1)n2C[C@@H]1CCO1.OC(C(F)(F)F)C(F)(F)F.[Li+].[OH-].
What is the InChIKey of lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate?
The InChIKey is AQJWZRSVLGPETO-YARPBMKWSA-M. The full InChI is InChI=1S/C30H29ClFN5O4.2C29H27ClFN5O4.C17H16ClFN2O.C13H14ClN3O3.C11H12ClN3O5.C11H15N3O3.C7H4Cl2N2O4.C6H2Cl2N2O4.C6H4Cl2N2O2.C4H4Cl2O3.C4H9NO.C3H2F6O.C2H3ClO2.CH4.Li.2H2O/c1-39-30(38)25-14-27-26(15-33-25)34-28(37(27)16-22-9-12-40-22)17-36-10-7-19(8-11-36)24-3-2-4-29(35-24)41-18-20-5-6-21(31)13-23(20)32;2*30-20-5-4-19(22(31)12-20)17-40-28-3-1-2-23(34-28)18-6-9-35(10-7-18)16-27-33-25-14-32-24(29(37)38)13-26(25)36(27)15-21-8-11-39-21;18-14-5-4-13(15(19)10-14)11-22-17-3-1-2-16(21-17)12-6-8-20-9-7-12;1-19-13(18)9-4-11-10(6-15-9)16-12(5-14)17(11)7-8-2-3-20-8;1-19-11(16)8-4-7(13-5-6-2-3-20-6)9(15(17)18)10(12)14-8;1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7;1-15-7(12)4-2-3(8)5(11(13)14)6(9)10-4;7-2-1-3(6(11)12)9-5(8)4(2)10(13)14;1-3-2-4(7)5(10(11)12)6(8)9-3;5-1-3(7)9-4(8)2-6;5-3-4-1-2-6-4;4-2(5,6)1(10)3(7,8)9;1-5-2(3)4;;;;/h2-7,13-15,22H,8-12,16-18H2,1H3;2*1-6,12-14,21H,7-11,15-17H2,(H,37,38);1-6,10,20H,7-9,11H2;4,6,8H,2-3,5,7H2,1H3;4,6H,2-3,5H2,1H3,(H,13,14);4,6-7H,2-3,5,12H2,1H3,(H,13,14);2H,1H3;1H,(H,11,12);2H,1H3;1-2H2;4H,1-3,5H2;1,10H;1H3;1H4;;2*1H2/q;;;;;;;;;;;;;;;+1;;/p-1/t22-;2*21-;;8-;6-;7-;;;;;4-;;;;;;/m000.000....0....../s1.
What are the key properties of lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate?
lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate has a molecular weight of 4133.21 g/mol, XLogP of 28.92, 52 rotatable bonds, 9 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-chloroacetyl) 2-chloroacetate;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylic acid);2-[(4-chloro-2-fluorophenyl)methoxy]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;2,4-dichloro-6-methyl-3-nitropyridine;4,6-dichloro-5-nitropyridine-2-carboxylic acid;1,1,1,3,3,3-hexafluoropropan-2-ol;methane;methyl 5-amino-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl carbonochloridate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 2-(chloromethyl)-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine-6-carboxylate;methyl 6-chloro-5-nitro-4-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate;methyl 4,6-dichloro-5-nitropyridine-2-carboxylate;[(2S)-oxetan-2-yl]methanamine;hydroxide;hydrate is sourced from PubChem (CID 163615886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).