(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine

C144H150Cl2I2N36O28 — CID 162249261

IUPAC(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine
SMILESCN1CC(CN)C1.CN1CC(CN2C(=O)c3cc(N)c(N)cc3C2=O)C1.CN1CC(CN2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)C1.CN1CC(CN2C(=O)c3cc4nc(-c5c(Cl)cc[nH]c5=O)[nH]c4cc3C2=O)C1.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC1CN(C)C1)C3=O.COc1nccc(I)c1C=O.Cc1ccc(OCC(O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)C(=O)N(CC2CN(C)C2)C4=O)c(C)c1.Cc1ccc(OC[C@H](O)CN)c(C)c1.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1CC1CNC1
InChIInChI=1S/C30H32N6O5.C20H18IN5O3.C19H16ClN5O3.C18H14ClN5O3.C13H14N4O4.C13H16N4O2.C11H17NO2.C8H5N3O4.C7H6INO2.C5H12N2/c1-16-4-5-25(17(2)8-16)41-15-19(37)11-32-22-6-7-31-28(38)26(22)27-33-23-9-20-21(10-24(23)34-27)30(40)36(29(20)39)14-18-12-35(3)13-18;1-25-7-10(8-25)9-26-19(27)11-5-14-15(6-12(11)20(26)28)24-17(23-14)16-13(21)3-4-22-18(16)29-2;1-24-6-9(7-24)8-25-18(27)10-4-13-14(5-11(10)19(25)28)23-16(22-13)15-12(20)2-3-21-17(15)26;19-11-1-2-21-16(25)14(11)15-22-12-3-9-10(4-13(12)23-15)18(27)24(17(9)26)7-8-5-20-6-8;1-15-4-7(5-15)6-16-12(18)8-2-10(14)11(17(20)21)3-9(8)13(16)19;1-16-4-7(5-16)6-17-12(18)8-2-10(14)11(15)3-9(8)13(17)19;1-8-3-4-11(9(2)5-8)14-7-10(13)6-12;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;1-11-7-5(4-10)6(8)2-3-9-7;1-7-3-5(2-6)4-7/h4-10,18-19,37H,11-15H2,1-3H3,(H,33,34)(H2,31,32,38);3-6,10H,7-9H2,1-2H3,(H,23,24);2-5,9H,6-8H2,1H3,(H,21,26)(H,22,23);1-4,8,20H,5-7H2,(H,21,25)(H,22,23);2-3,7H,4-6,14H2,1H3;2-3,7H,4-6,14-15H2,1H3;3-5,10,13H,6-7,12H2,1-2H3;1-2H,9H2,(H,10,12,13);2-4H,1H3;5H,2-4,6H2,1H3/t;;;;;;10-;;;/m......1.../s1
InChIKeyZXTLZYLXIUVPKE-FEUZHVIZSA-N
MW3157.72 g/mol
LogP10.48
Rot. Bonds32

About (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine

(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine (PubChem CID 162249261) has the molecular formula C144H150Cl2I2N36O28 and a molecular weight of 3157.72 g/mol. Its IUPAC name is (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine
PubChem CID162249261
Molecular FormulaC144H150Cl2I2N36O28
Molecular Weight3157.72 g/mol
Exact Mass3154.89
IUPAC Name(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine
SMILESCN1CC(CN)C1.CN1CC(CN2C(=O)c3cc(N)c(N)cc3C2=O)C1.CN1CC(CN2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)C1.CN1CC(CN2C(=O)c3cc4nc(-c5c(Cl)cc[nH]c5=O)[nH]c4cc3C2=O)C1.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC1CN(C)C1)C3=O.COc1nccc(I)c1C=O.Cc1ccc(OCC(O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)C(=O)N(CC2CN(C)C2)C4=O)c(C)c1.Cc1ccc(OC[C@H](O)CN)c(C)c1.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1CC1CNC1
InChIInChI=1S/C30H32N6O5.C20H18IN5O3.C19H16ClN5O3.C18H14ClN5O3.C13H14N4O4.C13H16N4O2.C11H17NO2.C8H5N3O4.C7H6INO2.C5H12N2/c1-16-4-5-25(17(2)8-16)41-15-19(37)11-32-22-6-7-31-28(38)26(22)27-33-23-9-20-21(10-24(23)34-27)30(40)36(29(20)39)14-18-12-35(3)13-18;1-25-7-10(8-25)9-26-19(27)11-5-14-15(6-12(11)20(26)28)24-17(23-14)16-13(21)3-4-22-18(16)29-2;1-24-6-9(7-24)8-25-18(27)10-4-13-14(5-11(10)19(25)28)23-16(22-13)15-12(20)2-3-21-17(15)26;19-11-1-2-21-16(25)14(11)15-22-12-3-9-10(4-13(12)23-15)18(27)24(17(9)26)7-8-5-20-6-8;1-15-4-7(5-15)6-16-12(18)8-2-10(14)11(17(20)21)3-9(8)13(16)19;1-16-4-7(5-16)6-17-12(18)8-2-10(14)11(15)3-9(8)13(17)19;1-8-3-4-11(9(2)5-8)14-7-10(13)6-12;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;1-11-7-5(4-10)6(8)2-3-9-7;1-7-3-5(2-6)4-7/h4-10,18-19,37H,11-15H2,1-3H3,(H,33,34)(H2,31,32,38);3-6,10H,7-9H2,1-2H3,(H,23,24);2-5,9H,6-8H2,1H3,(H,21,26)(H,22,23);1-4,8,20H,5-7H2,(H,21,25)(H,22,23);2-3,7H,4-6,14H2,1H3;2-3,7H,4-6,14-15H2,1H3;3-5,10,13H,6-7,12H2,1-2H3;1-2H,9H2,(H,10,12,13);2-4H,1H3;5H,2-4,6H2,1H3/t;;;;;;10-;;;/m......1.../s1
InChIKeyZXTLZYLXIUVPKE-FEUZHVIZSA-N
XLogP10.48
TPSA889.88 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds32
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003157.72
LogP ≤ 510.48
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine?
The IUPAC name of (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine (CID 162249261) is (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine.
What is the SMILES notation for (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine?
The canonical SMILES for (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine is CN1CC(CN)C1.CN1CC(CN2C(=O)c3cc(N)c(N)cc3C2=O)C1.CN1CC(CN2C(=O)c3cc(N)c([N+](=O)[O-])cc3C2=O)C1.CN1CC(CN2C(=O)c3cc4nc(-c5c(Cl)cc[nH]c5=O)[nH]c4cc3C2=O)C1.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CC1CN(C)C1)C3=O.COc1nccc(I)c1C=O.Cc1ccc(OCC(O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)C(=O)N(CC2CN(C)C2)C4=O)c(C)c1.Cc1ccc(OC[C@H](O)CN)c(C)c1.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1CC1CNC1.
What is the InChIKey of (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine?
The InChIKey is ZXTLZYLXIUVPKE-FEUZHVIZSA-N. The full InChI is InChI=1S/C30H32N6O5.C20H18IN5O3.C19H16ClN5O3.C18H14ClN5O3.C13H14N4O4.C13H16N4O2.C11H17NO2.C8H5N3O4.C7H6INO2.C5H12N2/c1-16-4-5-25(17(2)8-16)41-15-19(37)11-32-22-6-7-31-28(38)26(22)27-33-23-9-20-21(10-24(23)34-27)30(40)36(29(20)39)14-18-12-35(3)13-18;1-25-7-10(8-25)9-26-19(27)11-5-14-15(6-12(11)20(26)28)24-17(23-14)16-13(21)3-4-22-18(16)29-2;1-24-6-9(7-24)8-25-18(27)10-4-13-14(5-11(10)19(25)28)23-16(22-13)15-12(20)2-3-21-17(15)26;19-11-1-2-21-16(25)14(11)15-22-12-3-9-10(4-13(12)23-15)18(27)24(17(9)26)7-8-5-20-6-8;1-15-4-7(5-15)6-16-12(18)8-2-10(14)11(17(20)21)3-9(8)13(16)19;1-16-4-7(5-16)6-17-12(18)8-2-10(14)11(15)3-9(8)13(17)19;1-8-3-4-11(9(2)5-8)14-7-10(13)6-12;9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12;1-11-7-5(4-10)6(8)2-3-9-7;1-7-3-5(2-6)4-7/h4-10,18-19,37H,11-15H2,1-3H3,(H,33,34)(H2,31,32,38);3-6,10H,7-9H2,1-2H3,(H,23,24);2-5,9H,6-8H2,1H3,(H,21,26)(H,22,23);1-4,8,20H,5-7H2,(H,21,25)(H,22,23);2-3,7H,4-6,14H2,1H3;2-3,7H,4-6,14-15H2,1H3;3-5,10,13H,6-7,12H2,1-2H3;1-2H,9H2,(H,10,12,13);2-4H,1H3;5H,2-4,6H2,1H3/t;;;;;;10-;;;/m......1.../s1.
What are the key properties of (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine?
(2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine has a molecular weight of 3157.72 g/mol, XLogP of 10.48, 32 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;5-amino-2-[(1-methylazetidin-3-yl)methyl]-6-nitroisoindole-1,3-dione;5-amino-6-nitroisoindole-1,3-dione;6-(azetidin-3-ylmethyl)-2-(4-chloro-2-oxo-1H-pyridin-3-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[(1-methylazetidin-3-yl)methyl]isoindole-1,3-dione;2-[4-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;4-iodo-2-methoxypyridine-3-carbaldehyde;2-(4-iodo-2-methoxy-3-pyridinyl)-6-[(1-methylazetidin-3-yl)methyl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;(1-methylazetidin-3-yl)methanamine is sourced from PubChem (CID 162249261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).