5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C120H184BrCl2N17O33 — CID 165061175

IUPAC5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(O)[C@@H](C)CC(=O)OC(C)(C)C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(CBr)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)N)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.C[C@H](C=O)CC(=O)OC(C)(C)C.C[C@H](CO)CC(=O)OC(C)(C)C
InChIInChI=1S/C25H33ClN6O5.C17H26N2O6.C17H28N2O4.C13H15ClN4O4.C12H20N2O2.C10H20O3.C9H18O3.C9H16O3.C8H8BrNO3/c1-14(15(2)36-13-16-8-9-19(35-7)18(27)10-16)29-23(33)17-12-28-32-21(11-20(26)30-22(17)32)31(6)24(34)37-25(3,4)5;1-11(18-16(20)25-17(3,4)5)12(2)24-10-13-7-8-15(23-6)14(9-13)19(21)22;1-11(19-16(20)23-17(3,4)5)12(2)22-10-13-7-8-15(21-6)14(18)9-13;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(13)9(2)16-7-10-4-5-12(15-3)11(14)6-10;1-7(8(2)11)6-9(12)13-10(3,4)5;2*1-7(6-10)5-8(11)12-9(2,3)4;1-13-8-3-2-6(5-9)4-7(8)10(11)12/h8-12,14-15H,13,27H2,1-7H3,(H,29,33);7-9,11-12H,10H2,1-6H3,(H,18,20);7-9,11-12H,10,18H2,1-6H3,(H,19,20);5-6H,1-4H3,(H,19,20);4-6,8-9H,7,13-14H2,1-3H3;7-8,11H,6H2,1-5H3;7,10H,5-6H2,1-4H3;6-7H,5H2,1-4H3;2-4H,5H2,1H3/t14-,15?;2*11-,12?;;8-,9?;7-,8?;2*7-;/m111.1000./s1
InChIKeyRFPJUSFTUZTDHH-GHDOVWMOSA-N
MW2543.69 g/mol
LogP21.70
Rot. Bonds40

About 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 165061175) has the molecular formula C120H184BrCl2N17O33 and a molecular weight of 2543.69 g/mol. Its IUPAC name is 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID165061175
Molecular FormulaC120H184BrCl2N17O33
Molecular Weight2543.69 g/mol
Exact Mass2540.18
IUPAC Name5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(O)[C@@H](C)CC(=O)OC(C)(C)C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(CBr)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)N)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.C[C@H](C=O)CC(=O)OC(C)(C)C.C[C@H](CO)CC(=O)OC(C)(C)C
InChIInChI=1S/C25H33ClN6O5.C17H26N2O6.C17H28N2O4.C13H15ClN4O4.C12H20N2O2.C10H20O3.C9H18O3.C9H16O3.C8H8BrNO3/c1-14(15(2)36-13-16-8-9-19(35-7)18(27)10-16)29-23(33)17-12-28-32-21(11-20(26)30-22(17)32)31(6)24(34)37-25(3,4)5;1-11(18-16(20)25-17(3,4)5)12(2)24-10-13-7-8-15(23-6)14(9-13)19(21)22;1-11(19-16(20)23-17(3,4)5)12(2)22-10-13-7-8-15(21-6)14(18)9-13;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(13)9(2)16-7-10-4-5-12(15-3)11(14)6-10;1-7(8(2)11)6-9(12)13-10(3,4)5;2*1-7(6-10)5-8(11)12-9(2,3)4;1-13-8-3-2-6(5-9)4-7(8)10(11)12/h8-12,14-15H,13,27H2,1-7H3,(H,29,33);7-9,11-12H,10H2,1-6H3,(H,18,20);7-9,11-12H,10,18H2,1-6H3,(H,19,20);5-6H,1-4H3,(H,19,20);4-6,8-9H,7,13-14H2,1-3H3;7-8,11H,6H2,1-5H3;7,10H,5-6H2,1-4H3;6-7H,5H2,1-4H3;2-4H,5H2,1H3/t14-,15?;2*11-,12?;;8-,9?;7-,8?;2*7-;/m111.1000./s1
InChIKeyRFPJUSFTUZTDHH-GHDOVWMOSA-N
XLogP21.70
TPSA672.38 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.69
LogP ≤ 521.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

sodium;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[6-chloro-3-[[1-[(4-methoxy-3-nitrophenyl)methoxymethyl]cyclopropyl]carbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl 2-[1-(hydroxymethyl)cyclopropyl]acetate;tert-butyl 2-[1-[(4-methoxy-3-nitrophenyl)methoxymethyl]cyclopropyl]acetate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydride;[1-[(4-methoxy-3-nitrophenyl)methoxymethyl]cyclopropyl]azanium;(1-methylcyclopropyl)methanol;2,2,2-trifluoroacetate
CID 165018592
5-[[(3S)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2S)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2S)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(2S)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3R)-3-methyl-4-oxobutanoate;tert-butyl (3R)-3-methyl-4-oxopentanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 164947311
5-(2-aminopropoxymethyl)-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl 4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[1-[(3-amino-4-methoxyphenyl)methoxy]propan-2-ylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl 4-hydroxy-3-methylbutanoate;tert-butyl N-(4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl)-N-methylcarbamate;tert-butyl 4-[(4-methoxy-3-nitrophenyl)methoxy]-3-methylbutanoate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;methane;4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;1-methoxy-4-methyl-2-nitrobenzene
CID 164964681
5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium
CID 164985341
2-(2-aminoethoxymethyl)-6-methoxyaniline;1-(bromomethyl)-3-methoxy-2-nitrobenzene;tert-butyl N-[2-[(2-amino-3-methoxyphenyl)methoxy]ethyl]carbamate;tert-butyl N-[3-[2-[(2-amino-3-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-[2-[(3-methoxy-2-nitrophenyl)methoxy]ethyl]carbamate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;3-methoxy-2-nitrobenzoic acid;(3-methoxy-2-nitrophenyl)methanol;hydrochloride
CID 164993658
N-[(2S)-1-[(3-amino-4-methoxyphenyl)methoxy]propan-2-yl]-6-chloro-8-(dimethylamino)imidazo[1,2-b]pyridazine-3-carboxamide;5-[[(2S)-2-aminopropoxy]methyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl (3R)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl (3R)-4-hydroxy-3-methylbutanoate;tert-butyl N-[(11S)-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl (3R)-4-[(4-methoxy-3-nitrophenyl)methoxy]-3-methylbutanoate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;methane;sulfane
CID 165020522
4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl N-[3-[(4-methoxy-3-nitrophenyl)methoxy]cyclobutyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;(3-hydroxycyclobutyl)azanium;[3-[(4-methoxy-3-nitrophenyl)methoxy]cyclobutyl]azanium;dichloride
CID 165027406
5-[[(2R)-2-aminopropoxy]methyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(3-amino-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl N-[(11R)-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl]-N-methylcarbamate;tert-butyl (3S)-4-[(4-methoxy-3-nitrophenyl)methoxy]-3-methylbutanoate;6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;hydrochloride
CID 165029749
5-(2-aminopropoxymethyl)-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl 4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[1-[(3-amino-4-methoxyphenyl)methoxy]propan-2-ylcarbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl 4-hydroxy-3-methylbutanoate;tert-butyl N-(4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl)-N-methylcarbamate;tert-butyl 4-[(4-methoxy-3-nitrophenyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;1-methoxy-4-methyl-2-nitrobenzene
CID 165041933
tert-butyl N-[3-[[(2R)-1-[(5-amino-2-fluoro-4-methoxyphenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[(11R)-6-fluoro-4-methoxy-11-methyl-13-oxo-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-18-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(11R)-6-fluoro-4-methoxy-11-methyl-18-(methylamino)-9-oxa-2,12,16,17,20-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14(21),15,18-heptaen-13-one;(2R)-1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-amine
CID 165055506
5-[[(2R)-2-aminopropoxy]methyl]-2-methoxypyridin-3-amine;5-(bromomethyl)-2-methoxy-3-nitropyridine;tert-butyl (3S)-4-[(3-amino-4-methoxyphenyl)methoxy]-3-methylbutanoate;tert-butyl N-[3-[[(2R)-1-[(5-amino-6-methoxy-3-pyridinyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-[(6-methoxy-5-nitro-3-pyridinyl)methoxy]-3-methylbutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-methyl-3-nitropyridine
CID 165065091
5-(2-aminoethoxymethyl)-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl 4-[(3-amino-4-methoxyphenyl)methoxy]butanoate;tert-butyl N-[3-[2-[(3-amino-4-methoxyphenyl)methoxy]ethylcarbamoyl]-6-chloroimidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(4-methoxy-3-nitrophenyl)methoxy]butanoate;tert-butyl N-(4-methoxy-13-oxo-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-18-yl)-N-methylcarbamate;bis(6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylic acid);ethyl 6-chloro-8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate;4-methoxy-18-(methylamino)-9-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;hydrochloride
CID 165065864

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 165061175) is 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(O)[C@@H](C)CC(=O)OC(C)(C)C.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(CBr)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)N)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1N.COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-].COc1ccc(COC(C)[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.C[C@H](C=O)CC(=O)OC(C)(C)C.C[C@H](CO)CC(=O)OC(C)(C)C.
What is the InChIKey of 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RFPJUSFTUZTDHH-GHDOVWMOSA-N. The full InChI is InChI=1S/C25H33ClN6O5.C17H26N2O6.C17H28N2O4.C13H15ClN4O4.C12H20N2O2.C10H20O3.C9H18O3.C9H16O3.C8H8BrNO3/c1-14(15(2)36-13-16-8-9-19(35-7)18(27)10-16)29-23(33)17-12-28-32-21(11-20(26)30-22(17)32)31(6)24(34)37-25(3,4)5;1-11(18-16(20)25-17(3,4)5)12(2)24-10-13-7-8-15(23-6)14(9-13)19(21)22;1-11(19-16(20)23-17(3,4)5)12(2)22-10-13-7-8-15(21-6)14(18)9-13;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(13)9(2)16-7-10-4-5-12(15-3)11(14)6-10;1-7(8(2)11)6-9(12)13-10(3,4)5;2*1-7(6-10)5-8(11)12-9(2,3)4;1-13-8-3-2-6(5-9)4-7(8)10(11)12/h8-12,14-15H,13,27H2,1-7H3,(H,29,33);7-9,11-12H,10H2,1-6H3,(H,18,20);7-9,11-12H,10,18H2,1-6H3,(H,19,20);5-6H,1-4H3,(H,19,20);4-6,8-9H,7,13-14H2,1-3H3;7-8,11H,6H2,1-5H3;7,10H,5-6H2,1-4H3;6-7H,5H2,1-4H3;2-4H,5H2,1H3/t14-,15?;2*11-,12?;;8-,9?;7-,8?;2*7-;/m111.1000./s1.
What are the key properties of 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 2543.69 g/mol, XLogP of 21.70, 40 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-aminobutan-2-yl]oxymethyl]-2-methoxyaniline;4-(bromomethyl)-1-methoxy-2-nitrobenzene;tert-butyl N-[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamate;tert-butyl N-[3-[[(2R)-3-[(3-amino-4-methoxyphenyl)methoxy]butan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl (3S)-4-hydroxy-3-methylbutanoate;tert-butyl (3S)-4-hydroxy-3-methylpentanoate;tert-butyl N-[(2R)-3-[(4-methoxy-3-nitrophenyl)methoxy]butan-2-yl]carbamate;tert-butyl (3S)-3-methyl-4-oxobutanoate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 165061175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).