4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine

C110H104BBrF5N17O11S — CID 158917503

IUPAC4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
SMILESBrc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)n1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.O=C(O)C(F)(F)S(=O)(=O)F.c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccnc(N4CCOCC4)c3)c3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C38H32N6O.C35H29BrN4O.C21H19F2N5O.C14H23BN2O4.C2HF3O4S/c1-4-10-31(11-5-1)38(32-12-6-2-7-13-32,33-14-8-3-9-15-33)44-35-17-16-28(30-26-40-41-27-30)24-34(35)37(42-44)29-18-19-39-36(25-29)43-20-22-45-23-21-43;36-30-16-17-32-31(25-30)34(26-18-19-37-33(24-26)39-20-22-41-23-21-39)38-40(32)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29;22-21(23)28-13-17(12-26-28)14-1-2-16-11-25-20(18(16)9-14)15-3-4-24-19(10-15)27-5-7-29-8-6-27;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;3-2(4,1(6)7)10(5,8)9/h1-19,24-27H,20-23H2,(H,40,41);1-19,24-25H,20-23H2;1-4,9-10,12-13,21H,5-8,11H2;8-9H,1-7H3;(H,6,7)
InChIKeyJHKKZVBSTRZGSC-UHFFFAOYSA-N
MW2057.92 g/mol
LogP20.16
Rot. Bonds20

About 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine

4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine (PubChem CID 158917503) has the molecular formula C110H104BBrF5N17O11S and a molecular weight of 2057.92 g/mol. Its IUPAC name is 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
PubChem CID158917503
Molecular FormulaC110H104BBrF5N17O11S
Molecular Weight2057.92 g/mol
Exact Mass2055.70
IUPAC Name4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
SMILESBrc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)n1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.O=C(O)C(F)(F)S(=O)(=O)F.c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccnc(N4CCOCC4)c3)c3cc(-c4cn[nH]c4)ccc32)cc1
InChIInChI=1S/C38H32N6O.C35H29BrN4O.C21H19F2N5O.C14H23BN2O4.C2HF3O4S/c1-4-10-31(11-5-1)38(32-12-6-2-7-13-32,33-14-8-3-9-15-33)44-35-17-16-28(30-26-40-41-27-30)24-34(35)37(42-44)29-18-19-39-36(25-29)43-20-22-45-23-21-43;36-30-16-17-32-31(25-30)34(26-18-19-37-33(24-26)39-20-22-41-23-21-39)38-40(32)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29;22-21(23)28-13-17(12-26-28)14-1-2-16-11-25-20(18(16)9-14)15-3-4-24-19(10-15)27-5-7-29-8-6-27;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;3-2(4,1(6)7)10(5,8)9/h1-19,24-27H,20-23H2,(H,40,41);1-19,24-25H,20-23H2;1-4,9-10,12-13,21H,5-8,11H2;8-9H,1-7H3;(H,6,7)
InChIKeyJHKKZVBSTRZGSC-UHFFFAOYSA-N
XLogP20.16
TPSA304.60 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.92
LogP ≤ 520.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
CID 161243314
4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine
CID 158222864
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
4-[4-(5-bromo-6-fluoro-1-tritylindazol-3-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 161912297

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine (CID 158917503) is 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine is Brc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.FC(F)n1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)cn1.O=C(O)C(F)(F)S(=O)(=O)F.c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccnc(N4CCOCC4)c3)c3cc(-c4cn[nH]c4)ccc32)cc1.
What is the InChIKey of 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine?
The InChIKey is JHKKZVBSTRZGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N6O.C35H29BrN4O.C21H19F2N5O.C14H23BN2O4.C2HF3O4S/c1-4-10-31(11-5-1)38(32-12-6-2-7-13-32,33-14-8-3-9-15-33)44-35-17-16-28(30-26-40-41-27-30)24-34(35)37(42-44)29-18-19-39-36(25-29)43-20-22-45-23-21-43;36-30-16-17-32-31(25-30)34(26-18-19-37-33(24-26)39-20-22-41-23-21-39)38-40(32)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29;22-21(23)28-13-17(12-26-28)14-1-2-16-11-25-20(18(16)9-14)15-3-4-24-19(10-15)27-5-7-29-8-6-27;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;3-2(4,1(6)7)10(5,8)9/h1-19,24-27H,20-23H2,(H,40,41);1-19,24-25H,20-23H2;1-4,9-10,12-13,21H,5-8,11H2;8-9H,1-7H3;(H,6,7).
What are the key properties of 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine?
4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine has a molecular weight of 2057.92 g/mol, XLogP of 20.16, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2,2-difluoro-2-fluorosulfonylacetic acid;4-[4-[6-[1-(difluoromethyl)pyrazol-4-yl]-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-(1H-pyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 158917503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).