4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C79H92BCl4N17O7Si2 — CID 160682778

About 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 160682778) has the molecular formula C79H92BCl4N17O7Si2 and a molecular weight of 1600.51 g/mol. Its IUPAC name is 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 160682778
• Molecular Formula: C79H92BCl4N17O7Si2
• Molecular Weight: 1600.51 g/mol
• Exact Mass: 1597.58
• IUPAC Name: 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
• SMILES: CC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.Clc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.Clc1cnc(Cl)nc1
• InChI: InChI=1S/C28H41BN4O4Si.C26H31ClN6O2Si.C21H18ClN5O.C4H2Cl2N2/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32;22-17-12-25-21(26-13-17)15-1-2-16-11-24-20(18(16)9-15)14-3-4-23-19(10-14)27-5-7-28-8-6-27;5-3-1-7-4(6)8-2-3/h8-11,18-19H,12-17,20H2,1-7H3;4-7,14-17H,8-13,18H2,1-3H3;1-4,9-10,12-13H,5-8,11H2;1-2H
• InChIKey: ROJFBWMUWVMJBC-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 238.34 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.51
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 160682778) is 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.Clc1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nc1.Clc1cnc(Cl)nc1.

What is the InChIKey of 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

The InChIKey is ROJFBWMUWVMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41BN4O4Si.C26H31ClN6O2Si.C21H18ClN5O.C4H2Cl2N2/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32;22-17-12-25-21(26-13-17)15-1-2-16-11-24-20(18(16)9-15)14-3-4-23-19(10-14)27-5-7-28-8-6-27;5-3-1-7-4(6)8-2-3/h8-11,18-19H,12-17,20H2,1-7H3;4-7,14-17H,8-13,18H2,1-3H3;1-4,9-10,12-13H,5-8,11H2;1-2H.

What are the key properties of 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?

4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1600.51 g/mol, XLogP of 15.07, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-(5-chloropyrimidin-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 160682778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).