lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide

C96H109F9LiN9O10 — CID 158666744

About lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide

lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide (PubChem CID 158666744) has the molecular formula C96H109F9LiN9O10 and a molecular weight of 1726.90 g/mol. Its IUPAC name is lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide
• PubChem CID: 158666744
• Molecular Formula: C96H109F9LiN9O10
• Molecular Weight: 1726.90 g/mol
• Exact Mass: 1725.83
• IUPAC Name: lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide
• SMILES: C.COC(=O)c1ccc2c(c1)C1=C(CCN(C(=O)OC(C)(C)C)C1)C2.COC(=O)c1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C(F)(F)F)cc2)C1.Cn1c2c(c3cc(C(=O)NC4CCN(CC5CCCCC5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.Cn1c2c(c3cc(C(=O)O)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.[Li+].[OH-]
• InChI: InChI=1S/C33H41F3N4O.C22H21F3N2O2.C21H19F3N2O2.C19H23NO4.CH4.Li.H2O/c1-38-30-12-9-25(32(41)37-27-13-16-39(17-14-27)20-23-5-3-2-4-6-23)19-28(30)29-22-40(18-15-31(29)38)21-24-7-10-26(11-8-24)33(34,35)36;1-26-19-8-5-15(21(28)29-2)11-17(19)18-13-27(10-9-20(18)26)12-14-3-6-16(7-4-14)22(23,24)25;1-25-18-7-4-14(20(27)28)10-16(18)17-12-26(9-8-19(17)25)11-13-2-5-15(6-3-13)21(22,23)24;1-19(2,3)24-18(22)20-8-7-13-9-12-5-6-14(17(21)23-4)10-15(12)16(13)11-20;;;/h7-12,19,23,27H,2-6,13-18,20-22H2,1H3,(H,37,41);3-8,11H,9-10,12-13H2,1-2H3;2-7,10H,8-9,11-12H2,1H3,(H,27,28);5-6,10H,7-9,11H2,1-4H3;1H4;;1H2/q;;;;;+1;/p-1
• InChIKey: IDLLGUXYKDLLLY-UHFFFAOYSA-M
• XLogP: 16.41
• TPSA: 206.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1726.90
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide?

The IUPAC name of lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide (CID 158666744) is lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide?

The canonical SMILES for lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide is C.COC(=O)c1ccc2c(c1)C1=C(CCN(C(=O)OC(C)(C)C)C1)C2.COC(=O)c1ccc2c(c1)c1c(n2C)CCN(Cc2ccc(C(F)(F)F)cc2)C1.Cn1c2c(c3cc(C(=O)NC4CCN(CC5CCCCC5)CC4)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.Cn1c2c(c3cc(C(=O)O)ccc31)CN(Cc1ccc(C(F)(F)F)cc1)CC2.[Li+].[OH-].

What is the InChIKey of lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide?

The InChIKey is IDLLGUXYKDLLLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H41F3N4O.C22H21F3N2O2.C21H19F3N2O2.C19H23NO4.CH4.Li.H2O/c1-38-30-12-9-25(32(41)37-27-13-16-39(17-14-27)20-23-5-3-2-4-6-23)19-28(30)29-22-40(18-15-31(29)38)21-24-7-10-26(11-8-24)33(34,35)36;1-26-19-8-5-15(21(28)29-2)11-17(19)18-13-27(10-9-20(18)26)12-14-3-6-16(7-4-14)22(23,24)25;1-25-18-7-4-14(20(27)28)10-16(18)17-12-26(9-8-19(17)25)11-13-2-5-15(6-3-13)21(22,23)24;1-19(2,3)24-18(22)20-8-7-13-9-12-5-6-14(17(21)23-4)10-15(12)16(13)11-20;;;/h7-12,19,23,27H,2-6,13-18,20-22H2,1H3,(H,37,41);3-8,11H,9-10,12-13H2,1-2H3;2-7,10H,8-9,11-12H2,1H3,(H,27,28);5-6,10H,7-9,11H2,1-4H3;1H4;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide?

lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide has a molecular weight of 1726.90 g/mol, XLogP of 16.41, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-O-tert-butyl 8-O-methyl 1,3,4,5-tetrahydroindeno[1,2-c]pyridine-2,8-dicarboxylate;N-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide;methane;methyl 5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate;5-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid;hydroxide is sourced from PubChem (CID 158666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).