lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide

C133H179Cl4LiN18O27 — CID 163795369

IUPAClithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide
SMILESCCC1CCCC1.Cc1nc(-c2c(Cl)nn(C)c2C=O)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2CO)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.[Li+].[OH-]
InChIInChI=1S/C28H31ClN4O8.C28H39ClN4O5.C28H40N4O5.C21H28ClN3O4.C21H26ClN3O4.C7H14.Li.H2O/c1-16(2)39-27(34)18-6-5-7-21(14-18)40-24-13-12-22(30-17(24)3)25-23(32(4)31-26(25)29)15-38-28(35)41-20-10-8-19(9-11-20)33(36)37;1-17(2)37-27(34)19-9-8-12-21(15-19)38-24-14-13-22(30-18(24)3)25-23(33(5)31-26(25)29)16-36-28(35)32(4)20-10-6-7-11-20;1-18(2)36-27(33)20-9-8-12-22(15-20)37-26-14-13-24(30-19(26)3)23-16-29-32(5)25(23)17-35-28(34)31(4)21-10-6-7-11-21;2*1-12(2)28-21(27)14-6-5-7-15(10-14)29-18-9-8-16(23-13(18)3)19-17(11-26)25(4)24-20(19)22;1-2-7-5-3-4-6-7;;/h8-13,16,18,21H,5-7,14-15H2,1-4H3;13-14,17,19-21H,6-12,15-16H2,1-5H3;13-14,16,18,20-22H,6-12,15,17H2,1-5H3;8-9,12,14-15,26H,5-7,10-11H2,1-4H3;8-9,11-12,14-15H,5-7,10H2,1-4H3;7H,2-6H2,1H3;;1H2/q;;;;;;+1;/p-1/t18-,21-;19-,21-;20-,22-;2*14-,15-;;;/m00000.../s1
InChIKeyNAHLYRSOVZDCTF-UASNZZMVSA-M
MW2610.75 g/mol
LogP24.38
Rot. Bonds38

About lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide

lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide (PubChem CID 163795369) has the molecular formula C133H179Cl4LiN18O27 and a molecular weight of 2610.75 g/mol. Its IUPAC name is lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide
PubChem CID163795369
Molecular FormulaC133H179Cl4LiN18O27
Molecular Weight2610.75 g/mol
Exact Mass2607.21
IUPAC Namelithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide
SMILESCCC1CCCC1.Cc1nc(-c2c(Cl)nn(C)c2C=O)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2CO)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.[Li+].[OH-]
InChIInChI=1S/C28H31ClN4O8.C28H39ClN4O5.C28H40N4O5.C21H28ClN3O4.C21H26ClN3O4.C7H14.Li.H2O/c1-16(2)39-27(34)18-6-5-7-21(14-18)40-24-13-12-22(30-17(24)3)25-23(32(4)31-26(25)29)15-38-28(35)41-20-10-8-19(9-11-20)33(36)37;1-17(2)37-27(34)19-9-8-12-21(15-19)38-24-14-13-22(30-18(24)3)25-23(33(5)31-26(25)29)16-36-28(35)32(4)20-10-6-7-11-20;1-18(2)36-27(33)20-9-8-12-22(15-20)37-26-14-13-24(30-19(26)3)23-16-29-32(5)25(23)17-35-28(34)31(4)21-10-6-7-11-21;2*1-12(2)28-21(27)14-6-5-7-15(10-14)29-18-9-8-16(23-13(18)3)19-17(11-26)25(4)24-20(19)22;1-2-7-5-3-4-6-7;;/h8-13,16,18,21H,5-7,14-15H2,1-4H3;13-14,17,19-21H,6-12,15-16H2,1-5H3;13-14,16,18,20-22H,6-12,15,17H2,1-5H3;8-9,12,14-15,26H,5-7,10-11H2,1-4H3;8-9,11-12,14-15H,5-7,10H2,1-4H3;7H,2-6H2,1H3;;1H2/q;;;;;;+1;/p-1/t18-,21-;19-,21-;20-,22-;2*14-,15-;;;/m00000.../s1
InChIKeyNAHLYRSOVZDCTF-UASNZZMVSA-M
XLogP24.38
TPSA536.25 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds38
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002610.75
LogP ≤ 524.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?
The IUPAC name of lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide (CID 163795369) is lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide.
What is the SMILES notation for lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?
The canonical SMILES for lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide is CCC1CCCC1.Cc1nc(-c2c(Cl)nn(C)c2C=O)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2CO)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2c(Cl)nn(C)c2COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.Cc1nc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1.[Li+].[OH-].
What is the InChIKey of lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?
The InChIKey is NAHLYRSOVZDCTF-UASNZZMVSA-M. The full InChI is InChI=1S/C28H31ClN4O8.C28H39ClN4O5.C28H40N4O5.C21H28ClN3O4.C21H26ClN3O4.C7H14.Li.H2O/c1-16(2)39-27(34)18-6-5-7-21(14-18)40-24-13-12-22(30-17(24)3)25-23(32(4)31-26(25)29)15-38-28(35)41-20-10-8-19(9-11-20)33(36)37;1-17(2)37-27(34)19-9-8-12-21(15-19)38-24-14-13-22(30-18(24)3)25-23(33(5)31-26(25)29)16-36-28(35)32(4)20-10-6-7-11-20;1-18(2)36-27(33)20-9-8-12-22(15-20)37-26-14-13-24(30-19(26)3)23-16-29-32(5)25(23)17-35-28(34)31(4)21-10-6-7-11-21;2*1-12(2)28-21(27)14-6-5-7-15(10-14)29-18-9-8-16(23-13(18)3)19-17(11-26)25(4)24-20(19)22;1-2-7-5-3-4-6-7;;/h8-13,16,18,21H,5-7,14-15H2,1-4H3;13-14,17,19-21H,6-12,15-16H2,1-5H3;13-14,16,18,20-22H,6-12,15,17H2,1-5H3;8-9,12,14-15,26H,5-7,10-11H2,1-4H3;8-9,11-12,14-15H,5-7,10H2,1-4H3;7H,2-6H2,1H3;;1H2/q;;;;;;+1;/p-1/t18-,21-;19-,21-;20-,22-;2*14-,15-;;;/m00000.../s1.
What are the key properties of lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?
lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide has a molecular weight of 2610.75 g/mol, XLogP of 24.38, 38 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethylcyclopentane;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(3-chloro-5-formyl-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-5-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[3-chloro-1-methyl-5-[(4-nitrophenoxy)carbonyloxymethyl]pyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide is sourced from PubChem (CID 163795369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).