4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C102H92BBrF3N17O5 — CID 158233358

About 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 158233358) has the molecular formula C102H92BBrF3N17O5 and a molecular weight of 1783.68 g/mol. Its IUPAC name is 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 158233358
• Molecular Formula: C102H92BBrF3N17O5
• Molecular Weight: 1783.68 g/mol
• Exact Mass: 1781.67
• IUPAC Name: 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2ccn[nH]2)OC1(C)C.Fc1cc2c(cc1-c1ccn[nH]1)C(c1ccnc(N3CCOCC3)c1)=NC2.Fc1cc2c(cc1-c1ccn[nH]1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Fc1cc2c(cc1Br)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C38H31FN6O.C35H28BrFN4O.C20H18FN5O.C9H15BN2O2/c39-33-26-35-32(25-31(33)34-17-19-41-42-34)37(27-16-18-40-36(24-27)44-20-22-46-23-21-44)43-45(35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;36-30-23-29-32(24-31(30)37)41(39-34(29)25-16-17-38-33(22-25)40-18-20-42-21-19-40)35(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;21-17-9-14-12-23-20(15(14)11-16(17)18-2-4-24-25-18)13-1-3-22-19(10-13)26-5-7-27-8-6-26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h1-19,24-26H,20-23H2,(H,41,42);1-17,22-24H,18-21H2;1-4,9-11H,5-8,12H2,(H,24,25);5-6H,1-4H3,(H,11,12)
• InChIKey: GEQQEHRCMMFOIR-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 228.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.68
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 158233358) is 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2ccn[nH]2)OC1(C)C.Fc1cc2c(cc1-c1ccn[nH]1)C(c1ccnc(N3CCOCC3)c1)=NC2.Fc1cc2c(cc1-c1ccn[nH]1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.Fc1cc2c(cc1Br)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is GEQQEHRCMMFOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31FN6O.C35H28BrFN4O.C20H18FN5O.C9H15BN2O2/c39-33-26-35-32(25-31(33)34-17-19-41-42-34)37(27-16-18-40-36(24-27)44-20-22-46-23-21-44)43-45(35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;36-30-23-29-32(24-31(30)37)41(39-34(29)25-16-17-38-33(22-25)40-18-20-42-21-19-40)35(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28;21-17-9-14-12-23-20(15(14)11-16(17)18-2-4-24-25-18)13-1-3-22-19(10-13)26-5-7-27-8-6-26;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h1-19,24-26H,20-23H2,(H,41,42);1-17,22-24H,18-21H2;1-4,9-11H,5-8,12H2,(H,24,25);5-6H,1-4H3,(H,11,12).

What are the key properties of 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1783.68 g/mol, XLogP of 18.49, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(1H-pyrazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-fluoro-5-(1H-pyrazol-5-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 158233358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).