2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C119H115B3N16O17 — CID 158133035

IUPAC2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]ccc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2C(=O)OC(C)(C)C.O=C(O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12
InChIInChI=1S/C28H29N3O4.C23H23BN4O3.C23H22BN3O4.C23H21N3O2.C22H20BN3O4/c1-28(2,3)35-27(33)31-16-15-22-23(26(32)34-4)17-29-25(24(22)31)30(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-28-23(27)20-14-25-22(21-19(20)12-13-24-21)26(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;27-22(28)18-12-24-21(20-17(18)11-19(25-20)23(29)30)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h5-17H,18-19H2,1-4H3;2-13,27,30-31H,14-15H2,1H3,(H,25,29);2-13,26,29-30H,14-15H2,1H3;2-14,24H,15-16H2,1H3;1-12,25,29-30H,13-14H2,(H,27,28)
InChIKeyFSZYPBWQFPXVPJ-UHFFFAOYSA-N
MW2073.76 g/mol
LogP16.56
Rot. Bonds33

About 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 158133035) has the molecular formula C119H115B3N16O17 and a molecular weight of 2073.76 g/mol. Its IUPAC name is 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID158133035
Molecular FormulaC119H115B3N16O17
Molecular Weight2073.76 g/mol
Exact Mass2072.89
IUPAC Name2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]ccc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2C(=O)OC(C)(C)C.O=C(O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12
InChIInChI=1S/C28H29N3O4.C23H23BN4O3.C23H22BN3O4.C23H21N3O2.C22H20BN3O4/c1-28(2,3)35-27(33)31-16-15-22-23(26(32)34-4)17-29-25(24(22)31)30(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-28-23(27)20-14-25-22(21-19(20)12-13-24-21)26(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;27-22(28)18-12-24-21(20-17(18)11-19(25-20)23(29)30)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h5-17H,18-19H2,1-4H3;2-13,27,30-31H,14-15H2,1H3,(H,25,29);2-13,26,29-30H,14-15H2,1H3;2-14,24H,15-16H2,1H3;1-12,25,29-30H,13-14H2,(H,27,28)
InChIKeyFSZYPBWQFPXVPJ-UHFFFAOYSA-N
XLogP16.56
TPSA441.72 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.76
LogP ≤ 516.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

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Related Compounds

Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 158985250
Tert-butyl 2-[2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-yl]acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 159809586
tert-butyl N-methyl-N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-methyl-N-[(3S)-1-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]carbamate;methane;[(3S)-3-(methylamino)pyrrolidin-1-yl]-[6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]-3-pyridinyl]methanone;6-[[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid;dihydrochloride
CID 163496870
benzyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidin-3-yl]carbamate;1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidine-3-carboxylic acid;bis(1-[2-[3-(3-isocyanato-3-methylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one);methane
CID 157480474
3-[(5-benzoyl-7H-cyclopenta[d]pyrimidin-4-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-imidazol-1-ylpropan-2-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-pyridin-3-ylbutan-2-one;tert-butyl 2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate;tert-butyl 3-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanoate;[4-[3-(hydroxymethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 157590823
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbaldehyde;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-3-yl)methanone;benzyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate;1-(1H-indol-2-yl)-3-piperidin-4-ylimidazo[1,5-a]pyrazin-8-amine
CID 157986425
tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate;1-(2-chloropyrimidin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide;bis(1-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]pyrrolo[2,3-b]pyridine-3-carboxamide);1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 158009251
Tert-butyl 4-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate;5-chloro-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-(4-piperazin-1-ylphenyl)imidazo[4,5-b]pyridin-2-one;1-(2,2-dimethylpropyl)-3-methyl-5-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]imidazo[4,5-b]pyridin-2-one;pyridine-3-carboxylic acid;hydrochloride
CID 158348200
Tert-butyl 5-[6-[[7-cyclohexyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;6-[[7-cyclohexyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
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N-[2-(dimethylamino)ethyl]-9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxamide;[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl)methanone;ethyl 9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxylate;(4-methyl-1,4-diazepan-1-yl)-(9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl)methanone;9,11,14-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,14,16-octaene-16-carboxylic acid
CID 159213180
3-aminobenzonitrile;tert-butyl 5-[(3-cyanophenyl)carbamoyl]-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]piperidine-1-carboxylate;N-(3-cyanophenyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 159400501
2-amino-5-iodopyridine-3-carbaldehyde;2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carboxylic acid;2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;tert-butyl 4-[[2-(2-amino-5-iodo-3-pyridinyl)-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-benzimidazole-4-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-aminopiperidine-1-carboxylate;2,3-diaminobenzoic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159411687

Frequently Asked Questions

What is the IUPAC name of 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 158133035) is 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]ccc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1ccn2C(=O)OC(C)(C)C.O=C(O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.
What is the InChIKey of 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is FSZYPBWQFPXVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4.C23H23BN4O3.C23H22BN3O4.C23H21N3O2.C22H20BN3O4/c1-28(2,3)35-27(33)31-16-15-22-23(26(32)34-4)17-29-25(24(22)31)30(18-20-11-7-5-8-12-20)19-21-13-9-6-10-14-21;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;1-28-23(27)20-14-25-22(21-19(20)12-13-24-21)26(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18;27-22(28)18-12-24-21(20-17(18)11-19(25-20)23(29)30)26(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h5-17H,18-19H2,1-4H3;2-13,27,30-31H,14-15H2,1H3,(H,25,29);2-13,26,29-30H,14-15H2,1H3;2-14,24H,15-16H2,1H3;1-12,25,29-30H,13-14H2,(H,27,28).
What are the key properties of 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2073.76 g/mol, XLogP of 16.56, 33 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-borono-7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid;1-O-tert-butyl 4-O-methyl 7-(dibenzylamino)pyrrolo[2,3-c]pyridine-1,4-dicarboxylate;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 7-(dibenzylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 158133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).