6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C134H142B3Br3F9N21O14 — CID 162224941

IUPAC6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4C)cnc3C)cnc2n1.COc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1.COc1ccc(CN(C)c2ncc3cc(Br)cnc3n2)cc1.Cc1c(OC=O)cccc1C(F)(F)F.Cc1cccc(C(=O)Nc2cnc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1C.Cc1cccc(C(=O)Nc2cnc(C)c(Br)c2)c1C.Cc1ncc(N)cc1Br
InChIInChI=1S/C31H27F3N6O2.C24H20F3N5O.C21H27BN2O3.C16H15BrN4O.C15H15BrN2O.C12H24B2O4.C9H7F3O2.C6H7BrN2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20;1-4-21-29-11-16-8-15(10-30-22(16)32-21)19-9-17(12-28-14(19)3)31-23(33)18-6-5-7-20(13(18)2)24(25,26)27;1-13-9-8-10-17(14(13)2)19(25)24-16-11-18(15(3)23-12-16)22-26-20(4,5)21(6,7)27-22;1-21(10-11-3-5-14(22-2)6-4-11)16-19-8-12-7-13(17)9-18-15(12)20-16;1-9-5-4-6-13(10(9)2)15(19)18-12-7-14(16)11(3)17-8-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9(10,11)12)3-2-4-8(6)14-5-13;1-4-6(7)2-5(8)3-9-4/h5-16H,17H2,1-4H3,(H,38,41);5-12H,4H2,1-3H3,(H,31,33);8-12H,1-7H3,(H,24,25);3-9H,10H2,1-2H3;4-8H,1-3H3,(H,18,19);1-8H3;2-5H,1H3;2-3H,8H2,1H3
InChIKeyZUPYVSBSIZXTMQ-UHFFFAOYSA-N
MW2713.87 g/mol
LogP29.70
Rot. Bonds23

About 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162224941) has the molecular formula C134H142B3Br3F9N21O14 and a molecular weight of 2713.87 g/mol. Its IUPAC name is 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID162224941
Molecular FormulaC134H142B3Br3F9N21O14
Molecular Weight2713.87 g/mol
Exact Mass2709.87
IUPAC Name6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4C)cnc3C)cnc2n1.COc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1.COc1ccc(CN(C)c2ncc3cc(Br)cnc3n2)cc1.Cc1c(OC=O)cccc1C(F)(F)F.Cc1cccc(C(=O)Nc2cnc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1C.Cc1cccc(C(=O)Nc2cnc(C)c(Br)c2)c1C.Cc1ncc(N)cc1Br
InChIInChI=1S/C31H27F3N6O2.C24H20F3N5O.C21H27BN2O3.C16H15BrN4O.C15H15BrN2O.C12H24B2O4.C9H7F3O2.C6H7BrN2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20;1-4-21-29-11-16-8-15(10-30-22(16)32-21)19-9-17(12-28-14(19)3)31-23(33)18-6-5-7-20(13(18)2)24(25,26)27;1-13-9-8-10-17(14(13)2)19(25)24-16-11-18(15(3)23-12-16)22-26-20(4,5)21(6,7)27-22;1-21(10-11-3-5-14(22-2)6-4-11)16-19-8-12-7-13(17)9-18-15(12)20-16;1-9-5-4-6-13(10(9)2)15(19)18-12-7-14(16)11(3)17-8-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9(10,11)12)3-2-4-8(6)14-5-13;1-4-6(7)2-5(8)3-9-4/h5-16H,17H2,1-4H3,(H,38,41);5-12H,4H2,1-3H3,(H,31,33);8-12H,1-7H3,(H,24,25);3-9H,10H2,1-2H3;4-8H,1-3H3,(H,18,19);1-8H3;2-5H,1H3;2-3H,8H2,1H3
InChIKeyZUPYVSBSIZXTMQ-UHFFFAOYSA-N
XLogP29.70
TPSA429.50 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002713.87
LogP ≤ 529.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159643770
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2-methylpyridine-4-carboxamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-methyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]pyridine-4-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;[2-(trifluoromethyl)-4-pyridinyl] formate
CID 160300276
6-bromo-2-[1-(4-methoxyphenyl)propan-2-yl]pyrido[2,3-d]pyrimidine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162013147

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162224941) is 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4C)cnc3C)cnc2n1.COc1ccc(CN(C)c2ncc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5C)cnc4C)cnc3n2)cc1.COc1ccc(CN(C)c2ncc3cc(Br)cnc3n2)cc1.Cc1c(OC=O)cccc1C(F)(F)F.Cc1cccc(C(=O)Nc2cnc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c1C.Cc1cccc(C(=O)Nc2cnc(C)c(Br)c2)c1C.Cc1ncc(N)cc1Br.
What is the InChIKey of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is ZUPYVSBSIZXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N6O2.C24H20F3N5O.C21H27BN2O3.C16H15BrN4O.C15H15BrN2O.C12H24B2O4.C9H7F3O2.C6H7BrN2/c1-18-25(6-5-7-27(18)31(32,33)34)29(41)38-23-13-26(19(2)35-16-23)21-12-22-15-37-30(39-28(22)36-14-21)40(3)17-20-8-10-24(42-4)11-9-20;1-4-21-29-11-16-8-15(10-30-22(16)32-21)19-9-17(12-28-14(19)3)31-23(33)18-6-5-7-20(13(18)2)24(25,26)27;1-13-9-8-10-17(14(13)2)19(25)24-16-11-18(15(3)23-12-16)22-26-20(4,5)21(6,7)27-22;1-21(10-11-3-5-14(22-2)6-4-11)16-19-8-12-7-13(17)9-18-15(12)20-16;1-9-5-4-6-13(10(9)2)15(19)18-12-7-14(16)11(3)17-8-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9(10,11)12)3-2-4-8(6)14-5-13;1-4-6(7)2-5(8)3-9-4/h5-16H,17H2,1-4H3,(H,38,41);5-12H,4H2,1-3H3,(H,31,33);8-12H,1-7H3,(H,24,25);3-9H,10H2,1-2H3;4-8H,1-3H3,(H,18,19);1-8H3;2-5H,1H3;2-3H,8H2,1H3.
What are the key properties of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2713.87 g/mol, XLogP of 29.70, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;5-bromo-6-methylpyridin-3-amine;N-(5-bromo-6-methyl-3-pyridinyl)-2,3-dimethylbenzamide;2,3-dimethyl-N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzamide;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-2-methyl-3-(trifluoromethyl)benzamide;[2-methyl-3-(trifluoromethyl)phenyl] formate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162224941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).