7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid

C80H80B2BrF10N7O10 — CID 158149550

IUPAC7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid
SMILESC.C.C.CCn1ccc2c(=O)[nH]cc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(Br)c21.CCn1ccc2c1C(c1ccc(F)cc1)=CC(c1ccc(OC(F)(F)F)cc1)C2=O.OB(O)c1ccc(F)cc1.OB(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F4NO2.C16H15FN2O.C15H13FN2O.C10H11BrN2O.C7H6BF3O3.C6H6BFO2.3CH4/c1-2-28-12-11-18-21(28)19(14-3-7-16(24)8-4-14)13-20(22(18)29)15-5-9-17(10-6-15)30-23(25,26)27;1-3-19-9-8-13-15(19)14(10-18-16(13)20-2)11-4-6-12(17)7-5-11;1-2-18-8-7-12-14(18)13(9-17-15(12)19)10-3-5-11(16)6-4-10;1-3-13-5-4-7-9(13)8(11)6-12-10(7)14-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;8-6-3-1-5(2-4-6)7(9)10;;;/h3-13,20H,2H2,1H3;4-10H,3H2,1-2H3;3-9H,2H2,1H3,(H,17,19);4-6H,3H2,1-2H3;1-4,12-13H;1-4,9-10H;3*1H4
InChIKeyFUXWTDPPFIVMML-UHFFFAOYSA-N
MW1591.07 g/mol
LogP17.49
Rot. Bonds14

About 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid

7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid (PubChem CID 158149550) has the molecular formula C80H80B2BrF10N7O10 and a molecular weight of 1591.07 g/mol. Its IUPAC name is 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid
PubChem CID158149550
Molecular FormulaC80H80B2BrF10N7O10
Molecular Weight1591.07 g/mol
Exact Mass1589.52
IUPAC Name7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid
SMILESC.C.C.CCn1ccc2c(=O)[nH]cc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(Br)c21.CCn1ccc2c1C(c1ccc(F)cc1)=CC(c1ccc(OC(F)(F)F)cc1)C2=O.OB(O)c1ccc(F)cc1.OB(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H17F4NO2.C16H15FN2O.C15H13FN2O.C10H11BrN2O.C7H6BF3O3.C6H6BFO2.3CH4/c1-2-28-12-11-18-21(28)19(14-3-7-16(24)8-4-14)13-20(22(18)29)15-5-9-17(10-6-15)30-23(25,26)27;1-3-19-9-8-13-15(19)14(10-18-16(13)20-2)11-4-6-12(17)7-5-11;1-2-18-8-7-12-14(18)13(9-17-15(12)19)10-3-5-11(16)6-4-10;1-3-13-5-4-7-9(13)8(11)6-12-10(7)14-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;8-6-3-1-5(2-4-6)7(9)10;;;/h3-13,20H,2H2,1H3;4-10H,3H2,1-2H3;3-9H,2H2,1H3,(H,17,19);4-6H,3H2,1-2H3;1-4,12-13H;1-4,9-10H;3*1H4
InChIKeyFUXWTDPPFIVMML-UHFFFAOYSA-N
XLogP17.49
TPSA213.27 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.07
LogP ≤ 517.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid?
The IUPAC name of 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid (CID 158149550) is 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid.
What is the SMILES notation for 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid?
The canonical SMILES for 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid is C.C.C.CCn1ccc2c(=O)[nH]cc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(-c3ccc(F)cc3)c21.CCn1ccc2c(OC)ncc(Br)c21.CCn1ccc2c1C(c1ccc(F)cc1)=CC(c1ccc(OC(F)(F)F)cc1)C2=O.OB(O)c1ccc(F)cc1.OB(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid?
The InChIKey is FUXWTDPPFIVMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4NO2.C16H15FN2O.C15H13FN2O.C10H11BrN2O.C7H6BF3O3.C6H6BFO2.3CH4/c1-2-28-12-11-18-21(28)19(14-3-7-16(24)8-4-14)13-20(22(18)29)15-5-9-17(10-6-15)30-23(25,26)27;1-3-19-9-8-13-15(19)14(10-18-16(13)20-2)11-4-6-12(17)7-5-11;1-2-18-8-7-12-14(18)13(9-17-15(12)19)10-3-5-11(16)6-4-10;1-3-13-5-4-7-9(13)8(11)6-12-10(7)14-2;9-7(10,11)14-6-3-1-5(2-4-6)8(12)13;8-6-3-1-5(2-4-6)7(9)10;;;/h3-13,20H,2H2,1H3;4-10H,3H2,1-2H3;3-9H,2H2,1H3,(H,17,19);4-6H,3H2,1-2H3;1-4,12-13H;1-4,9-10H;3*1H4.
What are the key properties of 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid?
7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid has a molecular weight of 1591.07 g/mol, XLogP of 17.49, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-ethyl-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-4-methoxypyrrolo[3,2-c]pyridine;1-ethyl-7-(4-fluorophenyl)-5H-pyrrolo[3,2-c]pyridin-4-one;1-ethyl-7-(4-fluorophenyl)-5-[4-(trifluoromethoxy)phenyl]-5H-indol-4-one;(4-fluorophenyl)boronic acid;methane;[4-(trifluoromethoxy)phenyl]boronic acid is sourced from PubChem (CID 158149550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).