5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

C128H114BBr3ClF18N13O14 — CID 167652917

IUPAC5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESC.C.C.C.C.CC1(C)OB(c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)OC1(C)C.COC(=O)c1cccc(OC(F)(F)F)c1.COc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3n2)c1.O=C(Cc1ccc(Br)cn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H18F3N3O2.C24H16F3N3O2.C20H20BF3N2O3.C14H8BrF3N2O.C14H9BrF3NO2.C11H10ClNO.C9H7F3O3.C6H6BrN.5CH4/c1-15-23(29-21-9-4-3-8-20(21)24(15)32-2)17-10-11-18-13-22(30-31(18)14-17)16-6-5-7-19(12-16)33-25(26,27)28;1-14-22(28-20-8-3-2-7-19(20)23(14)31)16-9-10-17-12-21(29-30(17)13-16)15-5-4-6-18(11-15)32-24(25,26)27;1-18(2)19(3,4)29-21(28-18)14-8-9-15-11-17(25-26(15)12-14)13-6-5-7-16(10-13)27-20(22,23)24;15-10-4-5-11-7-13(19-20(11)8-10)9-2-1-3-12(6-9)21-14(16,17)18;15-10-4-5-11(19-8-10)7-13(20)9-2-1-3-12(6-9)21-14(16,17)18;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12;1-5-2-3-6(7)4-8-5;;;;;/h3-14H,1-2H3;2-13H,1H3,(H,28,31);5-12H,1-4H3;1-8H;1-6,8H,7H2;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;5*1H4
InChIKeyQVLIILPGYBTZBN-UHFFFAOYSA-N
MW2686.34 g/mol
LogP36.09
Rot. Bonds19

About 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine

5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 167652917) has the molecular formula C128H114BBr3ClF18N13O14 and a molecular weight of 2686.34 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
PubChem CID167652917
Molecular FormulaC128H114BBr3ClF18N13O14
Molecular Weight2686.34 g/mol
Exact Mass2681.57
IUPAC Name5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
SMILESC.C.C.C.C.CC1(C)OB(c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)OC1(C)C.COC(=O)c1cccc(OC(F)(F)F)c1.COc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3n2)c1.O=C(Cc1ccc(Br)cn1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H18F3N3O2.C24H16F3N3O2.C20H20BF3N2O3.C14H8BrF3N2O.C14H9BrF3NO2.C11H10ClNO.C9H7F3O3.C6H6BrN.5CH4/c1-15-23(29-21-9-4-3-8-20(21)24(15)32-2)17-10-11-18-13-22(30-31(18)14-17)16-6-5-7-19(12-16)33-25(26,27)28;1-14-22(28-20-8-3-2-7-19(20)23(14)31)16-9-10-17-12-21(29-30(17)13-16)15-5-4-6-18(11-15)32-24(25,26)27;1-18(2)19(3,4)29-21(28-18)14-8-9-15-11-17(25-26(15)12-14)13-6-5-7-16(10-13)27-20(22,23)24;15-10-4-5-11-7-13(19-20(11)8-10)9-2-1-3-12(6-9)21-14(16,17)18;15-10-4-5-11(19-8-10)7-13(20)9-2-1-3-12(6-9)21-14(16,17)18;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12;1-5-2-3-6(7)4-8-5;;;;;/h3-14H,1-2H3;2-13H,1H3,(H,28,31);5-12H,1-4H3;1-8H;1-6,8H,7H2;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;5*1H4
InChIKeyQVLIILPGYBTZBN-UHFFFAOYSA-N
XLogP36.09
TPSA289.29 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.34
LogP ≤ 536.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

5-bromo-2-methylpyridine;2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]indolizine;2-chloro-4-methoxy-3-methylquinoline;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]quinoline;6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]indolizin-6-yl]-1H-quinolin-4-one
CID 167692316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine (CID 167652917) is 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is C.C.C.C.C.CC1(C)OB(c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)OC1(C)C.COC(=O)c1cccc(OC(F)(F)F)c1.COc1c(C)c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)nc2ccccc12.COc1c(C)c(Cl)nc2ccccc12.Cc1c(-c2ccc3cc(-c4cccc(OC(F)(F)F)c4)nn3c2)[nH]c2ccccc2c1=O.Cc1ccc(Br)cn1.FC(F)(F)Oc1cccc(-c2cc3ccc(Br)cn3n2)c1.O=C(Cc1ccc(Br)cn1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is QVLIILPGYBTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2.C24H16F3N3O2.C20H20BF3N2O3.C14H8BrF3N2O.C14H9BrF3NO2.C11H10ClNO.C9H7F3O3.C6H6BrN.5CH4/c1-15-23(29-21-9-4-3-8-20(21)24(15)32-2)17-10-11-18-13-22(30-31(18)14-17)16-6-5-7-19(12-16)33-25(26,27)28;1-14-22(28-20-8-3-2-7-19(20)23(14)31)16-9-10-17-12-21(29-30(17)13-16)15-5-4-6-18(11-15)32-24(25,26)27;1-18(2)19(3,4)29-21(28-18)14-8-9-15-11-17(25-26(15)12-14)13-6-5-7-16(10-13)27-20(22,23)24;15-10-4-5-11-7-13(19-20(11)8-10)9-2-1-3-12(6-9)21-14(16,17)18;15-10-4-5-11(19-8-10)7-13(20)9-2-1-3-12(6-9)21-14(16,17)18;1-7-10(14-2)8-5-3-4-6-9(8)13-11(7)12;1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12;1-5-2-3-6(7)4-8-5;;;;;/h3-14H,1-2H3;2-13H,1H3,(H,28,31);5-12H,1-4H3;1-8H;1-6,8H,7H2;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;5*1H4.
What are the key properties of 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine?
5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 2686.34 g/mol, XLogP of 36.09, 19 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]ethanone;6-bromo-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;2-chloro-4-methoxy-3-methylquinoline;methane;4-methoxy-3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]quinoline;methyl 3-(trifluoromethoxy)benzoate;3-methyl-2-[2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridin-6-yl]-1H-quinolin-4-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 167652917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).