3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate

C144H186BBr6Cl3F6IN21O22 — CID 157143863

IUPAC3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C/N=C(\N)C=CN.COC(=O)c1ccc(F)cc1CBr.COC[C@H]1Cn2cc(-c3cc(Br)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(B3OC(C)(C)C(C)(C)O3)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(Br)cc2C(=O)N1.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1CO.Clc1cnc(Br)cc1I
InChIInChI=1S/C26H26ClFN6O3.C23H30BFN2O5.C22H20BrClFN3O3.C18H18BrFN2O4.C17H18BrFN2O3.C9H8BrFO2.C9H11BrN2O2.C5H2BrClIN.C4H9N3.11CH4/c1-32-25(5-6-30-32)31-24-9-21(22(27)10-29-24)18-8-23-26(36)34(20(15-37-2)13-33(23)11-18)12-17-7-19(28)4-3-16(17)14-35;1-22(2)23(3,4)32-24(31-22)17-9-20-21(29)27(19(14-30-5)12-26(20)11-17)10-16-8-18(25)7-6-15(16)13-28;1-31-12-17-10-27-8-15(18-6-21(23)26-7-19(18)24)5-20(27)22(30)28(17)9-14-4-16(25)3-2-13(14)11-29;1-25-10-14-9-21-8-12(19)6-16(21)17(23)22(14)7-11-5-13(20)3-4-15(11)18(24)26-2;1-24-10-15-8-20-7-13(18)5-16(20)17(23)21(15)6-12-4-14(19)3-2-11(12)9-22;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-14-5-7-4-12-3-6(10)2-8(12)9(13)11-7;6-5-1-4(8)3(7)2-9-5;1-7-4(6)2-3-5;;;;;;;;;;;/h3-11,20,35H,12-15H2,1-2H3,(H,29,31);6-9,11,19,28H,10,12-14H2,1-5H3;2-8,17,29H,9-12H2,1H3;3-6,8,14H,7,9-10H2,1-2H3;2-5,7,15,22H,6,8-10H2,1H3;2-4H,5H2,1H3;2-3,7H,4-5H2,1H3,(H,11,13);1-2H;2-3H,5H2,1H3,(H2,6,7);11*1H4/t20-;19-;17-;14-;15-;;7-;;;;;;;;;;;;;/m11111.1............./s1
InChIKeyCOZSRCYSWVXXDD-WLPZXGLMSA-N
MW3400.68 g/mol
LogP28.80
Rot. Bonds35

About 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate

3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate (PubChem CID 157143863) has the molecular formula C144H186BBr6Cl3F6IN21O22 and a molecular weight of 3400.68 g/mol. Its IUPAC name is 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate.

Molecular Properties

Compound Name3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate
PubChem CID157143863
Molecular FormulaC144H186BBr6Cl3F6IN21O22
Molecular Weight3400.68 g/mol
Exact Mass3391.73
IUPAC Name3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C/N=C(\N)C=CN.COC(=O)c1ccc(F)cc1CBr.COC[C@H]1Cn2cc(-c3cc(Br)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(B3OC(C)(C)C(C)(C)O3)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(Br)cc2C(=O)N1.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1CO.Clc1cnc(Br)cc1I
InChIInChI=1S/C26H26ClFN6O3.C23H30BFN2O5.C22H20BrClFN3O3.C18H18BrFN2O4.C17H18BrFN2O3.C9H8BrFO2.C9H11BrN2O2.C5H2BrClIN.C4H9N3.11CH4/c1-32-25(5-6-30-32)31-24-9-21(22(27)10-29-24)18-8-23-26(36)34(20(15-37-2)13-33(23)11-18)12-17-7-19(28)4-3-16(17)14-35;1-22(2)23(3,4)32-24(31-22)17-9-20-21(29)27(19(14-30-5)12-26(20)11-17)10-16-8-18(25)7-6-15(16)13-28;1-31-12-17-10-27-8-15(18-6-21(23)26-7-19(18)24)5-20(27)22(30)28(17)9-14-4-16(25)3-2-13(14)11-29;1-25-10-14-9-21-8-12(19)6-16(21)17(23)22(14)7-11-5-13(20)3-4-15(11)18(24)26-2;1-24-10-15-8-20-7-13(18)5-16(20)17(23)21(15)6-12-4-14(19)3-2-11(12)9-22;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-14-5-7-4-12-3-6(10)2-8(12)9(13)11-7;6-5-1-4(8)3(7)2-9-5;1-7-4(6)2-3-5;;;;;;;;;;;/h3-11,20,35H,12-15H2,1-2H3,(H,29,31);6-9,11,19,28H,10,12-14H2,1-5H3;2-8,17,29H,9-12H2,1H3;3-6,8,14H,7,9-10H2,1-2H3;2-5,7,15,22H,6,8-10H2,1H3;2-4H,5H2,1H3;2-3,7H,4-5H2,1H3,(H,11,13);1-2H;2-3H,5H2,1H3,(H2,6,7);11*1H4/t20-;19-;17-;14-;15-;;7-;;;;;;;;;;;;;/m11111.1............./s1
InChIKeyCOZSRCYSWVXXDD-WLPZXGLMSA-N
XLogP28.80
TPSA500.51 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003400.68
LogP ≤ 528.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate?
The IUPAC name of 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate (CID 157143863) is 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate.
What is the SMILES notation for 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate?
The canonical SMILES for 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate is C.C.C.C.C.C.C.C.C.C.C.C/N=C(\N)C=CN.COC(=O)c1ccc(F)cc1CBr.COC[C@H]1Cn2cc(-c3cc(Br)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(-c3cc(Nc4ccnn4C)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(B3OC(C)(C)C(C)(C)O3)cc2C(=O)N1Cc1cc(F)ccc1CO.COC[C@H]1Cn2cc(Br)cc2C(=O)N1.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1C(=O)OC.COC[C@H]1Cn2cc(Br)cc2C(=O)N1Cc1cc(F)ccc1CO.Clc1cnc(Br)cc1I.
What is the InChIKey of 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate?
The InChIKey is COZSRCYSWVXXDD-WLPZXGLMSA-N. The full InChI is InChI=1S/C26H26ClFN6O3.C23H30BFN2O5.C22H20BrClFN3O3.C18H18BrFN2O4.C17H18BrFN2O3.C9H8BrFO2.C9H11BrN2O2.C5H2BrClIN.C4H9N3.11CH4/c1-32-25(5-6-30-32)31-24-9-21(22(27)10-29-24)18-8-23-26(36)34(20(15-37-2)13-33(23)11-18)12-17-7-19(28)4-3-16(17)14-35;1-22(2)23(3,4)32-24(31-22)17-9-20-21(29)27(19(14-30-5)12-26(20)11-17)10-16-8-18(25)7-6-15(16)13-28;1-31-12-17-10-27-8-15(18-6-21(23)26-7-19(18)24)5-20(27)22(30)28(17)9-14-4-16(25)3-2-13(14)11-29;1-25-10-14-9-21-8-12(19)6-16(21)17(23)22(14)7-11-5-13(20)3-4-15(11)18(24)26-2;1-24-10-15-8-20-7-13(18)5-16(20)17(23)21(15)6-12-4-14(19)3-2-11(12)9-22;1-13-9(12)8-3-2-7(11)4-6(8)5-10;1-14-5-7-4-12-3-6(10)2-8(12)9(13)11-7;6-5-1-4(8)3(7)2-9-5;1-7-4(6)2-3-5;;;;;;;;;;;/h3-11,20,35H,12-15H2,1-2H3,(H,29,31);6-9,11,19,28H,10,12-14H2,1-5H3;2-8,17,29H,9-12H2,1H3;3-6,8,14H,7,9-10H2,1-2H3;2-5,7,15,22H,6,8-10H2,1H3;2-4H,5H2,1H3;2-3,7H,4-5H2,1H3,(H,11,13);1-2H;2-3H,5H2,1H3,(H2,6,7);11*1H4/t20-;19-;17-;14-;15-;;7-;;;;;;;;;;;;;/m11111.1............./s1.
What are the key properties of 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate?
3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate has a molecular weight of 3400.68 g/mol, XLogP of 28.80, 35 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-methylprop-2-enimidamide;2-bromo-5-chloro-4-iodopyridine;(3R)-7-(2-bromo-5-chloro-4-pyridinyl)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-7-bromo-3-(methoxymethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one;(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;(3R)-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;methane;methyl 2-[[(3R)-7-bromo-3-(methoxymethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-fluorobenzoate;methyl 2-(bromomethyl)-4-fluorobenzoate is sourced from PubChem (CID 157143863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).