5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C91H100BBrN14O16Si2 — CID 163808011

About 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163808011) has the molecular formula C91H100BBrN14O16Si2 and a molecular weight of 1792.77 g/mol. Its IUPAC name is 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 163808011
• Molecular Formula: C91H100BBrN14O16Si2
• Molecular Weight: 1792.77 g/mol
• Exact Mass: 1790.63
• IUPAC Name: 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: COc1cc(-c2cn(COCC[Si](C)(C)C)c(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)n2)ccn1.COc1cc(B(O)O)ccn1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.C[Si](C)(C)CCOCn1cc(Br)nc1C1COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1
• InChI: InChI=1S/C32H37N5O5Si.C27H24N4O4.C26H31BrN4O4Si.C6H8BNO3/c1-39-30-17-21(9-11-33-30)26-18-37(20-40-13-14-43(2,3)4)32(35-26)23-15-22-16-24(5-7-27(22)41-19-23)42-28-10-12-34-31-25(28)6-8-29(38)36-31;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;1-36(2,3)11-10-33-16-31-14-23(27)29-26(31)18-12-17-13-19(4-6-21(17)34-15-18)35-22-8-9-28-25-20(22)5-7-24(32)30-25;1-11-6-4-5(7(9)10)2-3-8-6/h5,7,9-12,16-18,23H,6,8,13-15,19-20H2,1-4H3,(H,34,36,38);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);4,6,8-9,13-14,18H,5,7,10-12,15-16H2,1-3H3,(H,28,30,32);2-4,9-10H,1H3
• InChIKey: NKSZMOPEANROTM-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 358.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.77
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The IUPAC name of 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163808011) is 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is COc1cc(-c2cn(COCC[Si](C)(C)C)c(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)n2)ccn1.COc1cc(B(O)O)ccn1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.C[Si](C)(C)CCOCn1cc(Br)nc1C1COc2ccc(Oc3ccnc4c3CCC(=O)N4)cc2C1.

What is the InChIKey of 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The InChIKey is NKSZMOPEANROTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O5Si.C27H24N4O4.C26H31BrN4O4Si.C6H8BNO3/c1-39-30-17-21(9-11-33-30)26-18-37(20-40-13-14-43(2,3)4)32(35-26)23-15-22-16-24(5-7-27(22)41-19-23)42-28-10-12-34-31-25(28)6-8-29(38)36-31;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;1-36(2,3)11-10-33-16-31-14-23(27)29-26(31)18-12-17-13-19(4-6-21(17)34-15-18)35-22-8-9-28-25-20(22)5-7-24(32)30-25;1-11-6-4-5(7(9)10)2-3-8-6/h5,7,9-12,16-18,23H,6,8,13-15,19-20H2,1-4H3,(H,34,36,38);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);4,6,8-9,13-14,18H,5,7,10-12,15-16H2,1-3H3,(H,28,30,32);2-4,9-10H,1H3.

What are the key properties of 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?

5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 1792.77 g/mol, XLogP of 15.45, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;(2-methoxy-4-pyridinyl)boronic acid;5-[[3-[4-(2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163808011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).