[5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane

C143H180BBrCl8N18O21Si3 — CID 167561475

About [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane

[5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane (PubChem CID 167561475) has the molecular formula C143H180BBrCl8N18O21Si3 and a molecular weight of 2945.72 g/mol. Its IUPAC name is [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane.

Molecular Properties

• Compound Name: [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane
• PubChem CID: 167561475
• Molecular Formula: C143H180BBrCl8N18O21Si3
• Molecular Weight: 2945.72 g/mol
• Exact Mass: 2938.97
• IUPAC Name: [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane
• SMILES: C.CC1(C)OB(c2cccc(-c3cccc(N)c3Cl)c2Cl)OC1(C)C.CCOC(=O)c1cc(OC)c2c(n1)CN(CCO[Si](C)(C)C(C)(C)C)CC2.COc1cc(C(=O)Cc2cccc(-c3cccc(-c4cnc(C=O)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.COc1cc(C(=O)Cc2cccc(-c3cccc(-c4cnc(CO)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.COc1nc(-c2cccc(-c3cccc(N)c3Cl)c2Cl)cnc1CO.COc1nc(Br)cnc1CO.N.OC1CC2(CNC2)C1
• InChI: InChI=1S/C37H44Cl2N4O5Si.C37H42Cl2N4O5Si.C20H34N2O4Si.C18H20BCl2NO2.C18H15Cl2N3O2.C6H7BrN2O2.C6H11NO.CH4.H3N/c2*1-37(2,3)49(6,7)48-17-16-43-15-14-26-30(21-43)41-28(19-33(26)46-4)32(45)18-23-10-8-11-24(34(23)38)25-12-9-13-27(35(25)39)29-20-40-31(22-44)36(42-29)47-5;1-8-25-19(23)16-13-18(24-5)15-9-10-22(14-17(15)21-16)11-12-26-27(6,7)20(2,3)4;1-17(2)18(3,4)24-19(23-17)13-9-5-7-11(15(13)20)12-8-6-10-14(22)16(12)21;1-25-18-15(9-24)22-8-14(23-18)12-6-2-4-10(16(12)19)11-5-3-7-13(21)17(11)20;1-11-6-4(3-10)8-2-5(7)9-6;8-5-1-6(2-5)3-7-4-6;;/h8-13,19-20,44H,14-18,21-22H2,1-7H3;8-13,19-20,22H,14-18,21H2,1-7H3;13H,8-12,14H2,1-7H3;5-10H,22H2,1-4H3;2-8,24H,9,21H2,1H3;2,10H,3H2,1H3;5,7-8H,1-4H2;1H4;1H3
• InChIKey: HADGLKPMTYYNKH-UHFFFAOYSA-N
• XLogP: 29.63
• TPSA: 519.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.72
LogP ≤ 5	29.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane?

The IUPAC name of [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane (CID 167561475) is [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane.

What is the SMILES notation for [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane?

The canonical SMILES for [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane is C.CC1(C)OB(c2cccc(-c3cccc(N)c3Cl)c2Cl)OC1(C)C.CCOC(=O)c1cc(OC)c2c(n1)CN(CCO[Si](C)(C)C(C)(C)C)CC2.COc1cc(C(=O)Cc2cccc(-c3cccc(-c4cnc(C=O)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.COc1cc(C(=O)Cc2cccc(-c3cccc(-c4cnc(CO)c(OC)n4)c3Cl)c2Cl)nc2c1CCN(CCO[Si](C)(C)C(C)(C)C)C2.COc1nc(-c2cccc(-c3cccc(N)c3Cl)c2Cl)cnc1CO.COc1nc(Br)cnc1CO.N.OC1CC2(CNC2)C1.

What is the InChIKey of [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane?

The InChIKey is HADGLKPMTYYNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44Cl2N4O5Si.C37H42Cl2N4O5Si.C20H34N2O4Si.C18H20BCl2NO2.C18H15Cl2N3O2.C6H7BrN2O2.C6H11NO.CH4.H3N/c2*1-37(2,3)49(6,7)48-17-16-43-15-14-26-30(21-43)41-28(19-33(26)46-4)32(45)18-23-10-8-11-24(34(23)38)25-12-9-13-27(35(25)39)29-20-40-31(22-44)36(42-29)47-5;1-8-25-19(23)16-13-18(24-5)15-9-10-22(14-17(15)21-16)11-12-26-27(6,7)20(2,3)4;1-17(2)18(3,4)24-19(23-17)13-9-5-7-11(15(13)20)12-8-6-10-14(22)16(12)21;1-25-18-15(9-24)22-8-14(23-18)12-6-2-4-10(16(12)19)11-5-3-7-13(21)17(11)20;1-11-6-4(3-10)8-2-5(7)9-6;8-5-1-6(2-5)3-7-4-6;;/h8-13,19-20,44H,14-18,21-22H2,1-7H3;8-13,19-20,22H,14-18,21H2,1-7H3;13H,8-12,14H2,1-7H3;5-10H,22H2,1-4H3;2-8,24H,9,21H2,1H3;2,10H,3H2,1H3;5,7-8H,1-4H2;1H4;1H3.

What are the key properties of [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane?

[5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane has a molecular weight of 2945.72 g/mol, XLogP of 29.63, 39 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-(3-amino-2-chlorophenyl)-2-chlorophenyl]-3-methoxypyrazin-2-yl]methanol;azane;2-azaspiro[3.3]heptan-6-ol;(5-bromo-3-methoxypyrazin-2-yl)methanol;1-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-[2-chloro-3-[2-chloro-3-[5-(hydroxymethyl)-6-methoxypyrazin-2-yl]phenyl]phenyl]ethanone;5-[3-[3-[2-[7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-2-yl]-2-oxoethyl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazine-2-carbaldehyde;2-chloro-3-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline;ethyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxy-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;methane is sourced from PubChem (CID 167561475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).