lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide

C84H125LiN12O17 — CID 163621290

About lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide

lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide (PubChem CID 163621290) has the molecular formula C84H125LiN12O17 and a molecular weight of 1581.93 g/mol. Its IUPAC name is lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide
• PubChem CID: 163621290
• Molecular Formula: C84H125LiN12O17
• Molecular Weight: 1581.93 g/mol
• Exact Mass: 1580.94
• IUPAC Name: lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide
• SMILES: CCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)OC(C)C)C3)c(C)n2)c(OC)nn1C.CNC1CCCC1.COc1nn(C)c(COC(=O)N(C)C2CCCC2)c1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C)n1.COc1nn(C)c(COC(=O)N(C)C2CCCC2)c1-c1ccc(O[C@H]2CCC[C@H](C(=O)OC(C)C)C2)c(C)n1.[Li+].[OH-]
• InChI: InChI=1S/C29H42N4O6.C26H36N4O6.C23H33N3O4.C6H13N.Li.H2O/c1-18(2)38-28(34)20-10-9-13-22(16-20)39-25-15-14-23(30-19(25)3)26-24(33(5)31-27(26)36-6)17-37-29(35)32(4)21-11-7-8-12-21;1-16-22(36-19-11-7-8-17(14-19)25(31)32)13-12-20(27-16)23-21(30(3)28-24(23)34-4)15-35-26(33)29(2)18-9-5-6-10-18;1-7-19-21(22(28-6)25-26(19)5)18-11-12-20(15(4)24-18)30-17-10-8-9-16(13-17)23(27)29-14(2)3;1-7-6-4-2-3-5-6;;/h14-15,18,20-22H,7-13,16-17H2,1-6H3;12-13,17-19H,5-11,14-15H2,1-4H3,(H,31,32);11-12,14,16-17H,7-10,13H2,1-6H3;6-7H,2-5H2,1H3;;1H2/q;;;;+1;/p-1/t20-,22-;17-,19-;16-,17-;;;/m000.../s1
• InChIKey: HOHZYQUNZNMPIG-VKNRCKJQSA-M
• XLogP: 11.76
• TPSA: 338.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1581.93
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?

The IUPAC name of lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide (CID 163621290) is lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide.

What is the SMILES notation for lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?

The canonical SMILES for lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide is CCc1c(-c2ccc(O[C@H]3CCC[C@H](C(=O)OC(C)C)C3)c(C)n2)c(OC)nn1C.CNC1CCCC1.COc1nn(C)c(COC(=O)N(C)C2CCCC2)c1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C)n1.COc1nn(C)c(COC(=O)N(C)C2CCCC2)c1-c1ccc(O[C@H]2CCC[C@H](C(=O)OC(C)C)C2)c(C)n1.[Li+].[OH-].

What is the InChIKey of lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?

The InChIKey is HOHZYQUNZNMPIG-VKNRCKJQSA-M. The full InChI is InChI=1S/C29H42N4O6.C26H36N4O6.C23H33N3O4.C6H13N.Li.H2O/c1-18(2)38-28(34)20-10-9-13-22(16-20)39-25-15-14-23(30-19(25)3)26-24(33(5)31-27(26)36-6)17-37-29(35)32(4)21-11-7-8-12-21;1-16-22(36-19-11-7-8-17(14-19)25(31)32)13-12-20(27-16)23-21(30(3)28-24(23)34-4)15-35-26(33)29(2)18-9-5-6-10-18;1-7-19-21(22(28-6)25-26(19)5)18-11-12-20(15(4)24-18)30-17-10-8-9-16(13-17)23(27)29-14(2)3;1-7-6-4-2-3-5-6;;/h14-15,18,20-22H,7-13,16-17H2,1-6H3;12-13,17-19H,5-11,14-15H2,1-4H3,(H,31,32);11-12,14,16-17H,7-10,13H2,1-6H3;6-7H,2-5H2,1H3;;1H2/q;;;;+1;/p-1/t20-,22-;17-,19-;16-,17-;;;/m000.../s1.

What are the key properties of lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide?

lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide has a molecular weight of 1581.93 g/mol, XLogP of 11.76, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-methylcyclopentanamine;trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid;trans-propan-2-yl (1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methoxy-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;trans-propan-2-yl (1S,3S)-3-[[6-(5-ethyl-3-methoxy-1-methylpyrazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate;hydroxide is sourced from PubChem (CID 163621290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).