sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride

C152H158BBrClF6N20NaO16 — CID 158869390

IUPACsodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride
SMILESC.C.C.C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1)NC(=O)OC(C)(C)C.COC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.OB(O)c1ccncc1.[Na+].[OH-]
InChIInChI=1S/C31H35FN4O3.2C25H26FN5O.C21H19BrFNO4.C21H15FN2O2.C20H13FN2O2.C5H6BNO2.4CH4.ClH.Na.H2O/c1-5-6-7-24(35-30(38)39-31(2,3)4)19-34-29(37)28-27(21-14-16-33-17-15-21)25-13-10-22(18-26(25)36-28)20-8-11-23(32)12-9-20;2*26-19-6-3-16(4-7-19)18-5-8-21-22(14-18)31-24(23(21)17-9-12-29-13-10-17)25(32)30-15-20(28)2-1-11-27;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-26-21(25)20-19(14-8-10-23-11-9-14)17-7-4-15(12-18(17)24-20)13-2-5-16(22)6-3-13;21-15-4-1-12(2-5-15)14-3-6-16-17(11-14)23-19(20(24)25)18(16)13-7-9-22-10-8-13;8-6(9)5-1-3-7-4-2-5;;;;;;;/h8-18,24,36H,5-7,19H2,1-4H3,(H,34,37)(H,35,38);2*3-10,12-14,20,31H,1-2,11,15,27-28H2,(H,30,32);5-11H,1-4H3;2-12,24H,1H3;1-11,23H,(H,24,25);1-4,8-9H;4*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t24-;2*20-;;;;;;;;;;;/m000.........../s1
InChIKeyQWLCKJFPJHXQTP-OWPGBEPASA-M
MW2784.21 g/mol
LogP28.40
Rot. Bonds34

About sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride

sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride (PubChem CID 158869390) has the molecular formula C152H158BBrClF6N20NaO16 and a molecular weight of 2784.21 g/mol. Its IUPAC name is sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride
PubChem CID158869390
Molecular FormulaC152H158BBrClF6N20NaO16
Molecular Weight2784.21 g/mol
Exact Mass2781.09
IUPAC Namesodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride
SMILESC.C.C.C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1)NC(=O)OC(C)(C)C.COC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.OB(O)c1ccncc1.[Na+].[OH-]
InChIInChI=1S/C31H35FN4O3.2C25H26FN5O.C21H19BrFNO4.C21H15FN2O2.C20H13FN2O2.C5H6BNO2.4CH4.ClH.Na.H2O/c1-5-6-7-24(35-30(38)39-31(2,3)4)19-34-29(37)28-27(21-14-16-33-17-15-21)25-13-10-22(18-26(25)36-28)20-8-11-23(32)12-9-20;2*26-19-6-3-16(4-7-19)18-5-8-21-22(14-18)31-24(23(21)17-9-12-29-13-10-17)25(32)30-15-20(28)2-1-11-27;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-26-21(25)20-19(14-8-10-23-11-9-14)17-7-4-15(12-18(17)24-20)13-2-5-16(22)6-3-13;21-15-4-1-12(2-5-15)14-3-6-16-17(11-14)23-19(20(24)25)18(16)13-7-9-22-10-8-13;8-6(9)5-1-3-7-4-2-5;;;;;;;/h8-18,24,36H,5-7,19H2,1-4H3,(H,34,37)(H,35,38);2*3-10,12-14,20,31H,1-2,11,15,27-28H2,(H,30,32);5-11H,1-4H3;2-12,24H,1H3;1-11,23H,(H,24,25);1-4,8-9H;4*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t24-;2*20-;;;;;;;;;;;/m000.........../s1
InChIKeyQWLCKJFPJHXQTP-OWPGBEPASA-M
XLogP28.40
TPSA577.59 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002784.21
LogP ≤ 528.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride with MolForge

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Related Compounds

CID 157129687
CID 157129687
(2R)-2-amino-3-(5-bromo-1H-indol-3-yl)-N,N-dimethylpropanamide;(2R)-3-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;tert-butyl 4-[(1S,3R)-6-bromo-2-(2-chloroacetyl)-3-(dimethylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]benzoate;tert-butyl 4-[(1S,3R)-6-bromo-3-(dimethylcarbamoyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]benzoate;tert-butyl N-[(2R)-3-(5-bromo-1H-indol-3-yl)-1-(dimethylamino)-1-oxopropan-2-yl]carbamate;deuterioethane;methane;N-methylmethanamine;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 159468880
sodium;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(4-fluorophenyl)-6-methylindolizine-7-carboxylic acid;(4-fluorophenyl)boronic acid;1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;propan-2-yl 1-bromo-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-1-(4-fluorophenyl)-6-methylindolizine-7-carboxylate;hydroxide
CID 161990446
CID 162267499
CID 162267499
CID 157081339
CID 157081339
sodium;tert-butyl N-[(2S)-1-[[3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(3-(2-cyclopropylethynyl)-N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide);3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;ethynylcyclopropane;methane;methyl 3-bromo-6-(4-fluorophenyl)-1H-indole-2-carboxylate;methyl 3-(2-cyclopropylethynyl)-6-(4-fluorophenyl)-1H-indole-2-carboxylate;hydroxide;hydrochloride
CID 157105574
sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl 6-(4-fluorophenyl)-3-(4-hydroxyphenyl)indole-1,2-dicarboxylate;N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-3-(4-hydroxyphenyl)-1H-indole-2-carboxylic acid;(4-hydroxyphenyl)boronic acid;methane;hydroxide;hydrochloride
CID 157195769
5-bromo-3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;ethyl 3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole-2-carboxylate;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;[3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indol-5-yl]methanol;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-methyl-1H-indole;3-[2-(7-methyl-7-propan-2-yl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 157329422
sodium;6-bromo-1H-indole-2-carboxylic acid;tert-butyl N-[(6S)-7-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-2,6-dimethylheptan-3-yl]carbamate;N-[(2S)-2,5-diamino-6-methylheptyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;6-(4-fluorophenyl)-1H-indole-2-carboxylic acid;methane;methanol;methyl 6-bromo-1H-indole-2-carboxylate;methyl 6-(4-fluorophenyl)-1H-indole-2-carboxylate;palladium;thionyl dichloride;tetrakis(triphenylphosphane);hydroxide;hydrochloride
CID 157586862
sodium;tert-butyl N-[(2S)-1-[[5-(4-fluorophenyl)-3-methyl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;bis(N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxamide);5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxylic acid;methyl 3-bromo-5-(4-fluorophenyl)-1H-indole-2-carboxylate;methyl 5-(4-fluorophenyl)-3-methyl-1H-indole-2-carboxylate;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane;hydroxide;hydrochloride
CID 158044112
magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride
CID 158154126
bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 158480461

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride?
The IUPAC name of sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride (CID 158869390) is sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride.
What is the SMILES notation for sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride?
The canonical SMILES for sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride is C.C.C.C.CCCC[C@@H](CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1)NC(=O)OC(C)(C)C.COC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.COC(=O)c1c(Br)c2ccc(-c3ccc(F)cc3)cc2n1C(=O)OC(C)(C)C.Cl.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.NCCC[C@H](N)CNC(=O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.O=C(O)c1[nH]c2cc(-c3ccc(F)cc3)ccc2c1-c1ccncc1.OB(O)c1ccncc1.[Na+].[OH-].
What is the InChIKey of sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride?
The InChIKey is QWLCKJFPJHXQTP-OWPGBEPASA-M. The full InChI is InChI=1S/C31H35FN4O3.2C25H26FN5O.C21H19BrFNO4.C21H15FN2O2.C20H13FN2O2.C5H6BNO2.4CH4.ClH.Na.H2O/c1-5-6-7-24(35-30(38)39-31(2,3)4)19-34-29(37)28-27(21-14-16-33-17-15-21)25-13-10-22(18-26(25)36-28)20-8-11-23(32)12-9-20;2*26-19-6-3-16(4-7-19)18-5-8-21-22(14-18)31-24(23(21)17-9-12-29-13-10-17)25(32)30-15-20(28)2-1-11-27;1-21(2,3)28-20(26)24-16-11-13(12-5-8-14(23)9-6-12)7-10-15(16)17(22)18(24)19(25)27-4;1-26-21(25)20-19(14-8-10-23-11-9-14)17-7-4-15(12-18(17)24-20)13-2-5-16(22)6-3-13;21-15-4-1-12(2-5-15)14-3-6-16-17(11-14)23-19(20(24)25)18(16)13-7-9-22-10-8-13;8-6(9)5-1-3-7-4-2-5;;;;;;;/h8-18,24,36H,5-7,19H2,1-4H3,(H,34,37)(H,35,38);2*3-10,12-14,20,31H,1-2,11,15,27-28H2,(H,30,32);5-11H,1-4H3;2-12,24H,1H3;1-11,23H,(H,24,25);1-4,8-9H;4*1H4;1H;;1H2/q;;;;;;;;;;;;+1;/p-1/t24-;2*20-;;;;;;;;;;;/m000.........../s1.
What are the key properties of sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride?
sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride has a molecular weight of 2784.21 g/mol, XLogP of 28.40, 34 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl N-[(2S)-1-[[6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carbonyl]amino]hexan-2-yl]carbamate;1-O-tert-butyl 2-O-methyl 3-bromo-6-(4-fluorophenyl)indole-1,2-dicarboxylate;bis(N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxamide);6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylic acid;methane;methyl 6-(4-fluorophenyl)-3-pyridin-4-yl-1H-indole-2-carboxylate;pyridin-4-ylboronic acid;hydroxide;hydrochloride is sourced from PubChem (CID 158869390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).