lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide

C91H104F4ILiN10O13Pd — CID 158656820

IUPAClithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide
SMILESC.C.CC(=O)O.CC(=O)O.COC(=O)c1ccc(N)c(I)c1.COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(NC1CCN(C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C1CCN(c2ccc(F)cc2)CC1.[Li+].[OH-].[Pd]
InChIInChI=1S/C29H35FN4O.C19H17FN2O2.C18H15FN2O2.C11H12FNO.C8H8INO2.2C2H4O2.2CH4.Li.H2O.Pd/c30-21-7-9-24(10-8-21)34-17-14-28-26(19-34)25-18-20(6-11-27(25)32-28)29(35)31-22-12-15-33(16-13-22)23-4-2-1-3-5-23;1-24-19(23)12-2-7-17-15(10-12)16-11-22(9-8-18(16)21-17)14-5-3-13(20)4-6-14;19-12-2-4-13(5-3-12)21-8-7-17-15(10-21)14-9-11(18(22)23)1-6-16(14)20-17;12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13;1-12-8(11)5-2-3-7(10)6(9)4-5;2*1-2(3)4;;;;;/h6-11,18,22-23,32H,1-5,12-17,19H2,(H,31,35);2-7,10,21H,8-9,11H2,1H3;1-6,9,20H,7-8,10H2,(H,22,23);1-4H,5-8H2;2-4H,10H2,1H3;2*1H3,(H,3,4);2*1H4;;1H2;/q;;;;;;;;;+1;;/p-1
InChIKeyBFXIUGWITMKOMY-UHFFFAOYSA-M
MW1862.15 g/mol
LogP14.55
Rot. Bonds10

About lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide

lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide (PubChem CID 158656820) has the molecular formula C91H104F4ILiN10O13Pd and a molecular weight of 1862.15 g/mol. Its IUPAC name is lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide.

Molecular Properties

Compound Namelithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide
PubChem CID158656820
Molecular FormulaC91H104F4ILiN10O13Pd
Molecular Weight1862.15 g/mol
Exact Mass1860.60
IUPAC Namelithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide
SMILESC.C.CC(=O)O.CC(=O)O.COC(=O)c1ccc(N)c(I)c1.COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(NC1CCN(C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C1CCN(c2ccc(F)cc2)CC1.[Li+].[OH-].[Pd]
InChIInChI=1S/C29H35FN4O.C19H17FN2O2.C18H15FN2O2.C11H12FNO.C8H8INO2.2C2H4O2.2CH4.Li.H2O.Pd/c30-21-7-9-24(10-8-21)34-17-14-28-26(19-34)25-18-20(6-11-27(25)32-28)29(35)31-22-12-15-33(16-13-22)23-4-2-1-3-5-23;1-24-19(23)12-2-7-17-15(10-12)16-11-22(9-8-18(16)21-17)14-5-3-13(20)4-6-14;19-12-2-4-13(5-3-12)21-8-7-17-15(10-21)14-9-11(18(22)23)1-6-16(14)20-17;12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13;1-12-8(11)5-2-3-7(10)6(9)4-5;2*1-2(3)4;;;;;/h6-11,18,22-23,32H,1-5,12-17,19H2,(H,31,35);2-7,10,21H,8-9,11H2,1H3;1-6,9,20H,7-8,10H2,(H,22,23);1-4H,5-8H2;2-4H,10H2,1H3;2*1H3,(H,3,4);2*1H4;;1H2;/q;;;;;;;;;+1;;/p-1
InChIKeyBFXIUGWITMKOMY-UHFFFAOYSA-M
XLogP14.55
TPSA330.26 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001862.15
LogP ≤ 514.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide with MolForge

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;5-(4-benzylpiperidine-1-carbonyl)-N-methylidene-1H-indole-3-carboxamide;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 91147509
5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]ethanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone;(4-benzylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 157792691
(4,4-Difluoropiperidin-1-yl)-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)methanone;2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 157961203
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
2-amino-1-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;aniline;9H-carbazole-3-carboxylic acid;N-[2-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-oxoethyl]-9H-carbazole-3-carboxamide;methyl 4-anilinobenzoate;methyl 4-bromobenzoate;methyl 9H-carbazole-3-carboxylate;hydrochloride
CID 160500437
CID 157236711
CID 157236711
Tert-butyl 8-(3-methylpiperidine-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 157513888
Tert-butyl 8-(4-methylpiperidine-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 157587091
3-(hydroxymethyl)-1-oxo-N-pyridin-3-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;3-(hydroxymethyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid;methyl 3-(hydroxymethyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylate
CID 157923952
4-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)butan-1-one;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-yl-1,4-diazepan-1-yl)ethyl]piperidin-4-amine;methyl 2-[3-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]phenyl]-1H-indole-5-carboxylate
CID 157926645
(4-Methylpiperidin-1-yl)-(2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)methanone;2-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 158068429
3-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid;methyl 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 158077339

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide?
The IUPAC name of lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide (CID 158656820) is lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide.
What is the SMILES notation for lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide?
The canonical SMILES for lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide is C.C.CC(=O)O.CC(=O)O.COC(=O)c1ccc(N)c(I)c1.COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(NC1CCN(C2CCCCC2)CC1)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C(O)c1ccc2[nH]c3c(c2c1)CN(c1ccc(F)cc1)CC3.O=C1CCN(c2ccc(F)cc2)CC1.[Li+].[OH-].[Pd].
What is the InChIKey of lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide?
The InChIKey is BFXIUGWITMKOMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H35FN4O.C19H17FN2O2.C18H15FN2O2.C11H12FNO.C8H8INO2.2C2H4O2.2CH4.Li.H2O.Pd/c30-21-7-9-24(10-8-21)34-17-14-28-26(19-34)25-18-20(6-11-27(25)32-28)29(35)31-22-12-15-33(16-13-22)23-4-2-1-3-5-23;1-24-19(23)12-2-7-17-15(10-12)16-11-22(9-8-18(16)21-17)14-5-3-13(20)4-6-14;19-12-2-4-13(5-3-12)21-8-7-17-15(10-21)14-9-11(18(22)23)1-6-16(14)20-17;12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13;1-12-8(11)5-2-3-7(10)6(9)4-5;2*1-2(3)4;;;;;/h6-11,18,22-23,32H,1-5,12-17,19H2,(H,31,35);2-7,10,21H,8-9,11H2,1H3;1-6,9,20H,7-8,10H2,(H,22,23);1-4H,5-8H2;2-4H,10H2,1H3;2*1H3,(H,3,4);2*1H4;;1H2;/q;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide?
lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide has a molecular weight of 1862.15 g/mol, XLogP of 14.55, 10 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;N-(1-cyclohexylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide;1-(4-fluorophenyl)piperidin-4-one;2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid;methane;methyl 4-amino-3-iodobenzoate;methyl 2-(4-fluorophenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate;palladium;hydroxide is sourced from PubChem (CID 158656820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).