2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine

C133H117B2Br3F8N24O11S — CID 158091403

About 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine

2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine (PubChem CID 158091403) has the molecular formula C133H117B2Br3F8N24O11S and a molecular weight of 2672.94 g/mol. Its IUPAC name is 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
• PubChem CID: 158091403
• Molecular Formula: C133H117B2Br3F8N24O11S
• Molecular Weight: 2672.94 g/mol
• Exact Mass: 2668.67
• IUPAC Name: 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
• SMILES: CC1(C)OB(c2ccc3ncnc(N)c3c2)OC1(C)C.CC1(C)OB(c2cccc(CNc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c2)OC1(C)C.Nc1ncnc2ccc(-c3cccc(CNc4ncccc4C(=O)NCc4ccc(F)c(F)c4)c3)cc12.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cccc(-c2c[nH]c3ncncc23)c1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cccc(Br)c1.O=Cc1cccc(Br)c1.O=S(=O)(c1ccccc1)n1cc(Br)c2cncnc21
• InChI: InChI=1S/C28H22F2N6O.C26H28BF2N3O3.C26H20F2N6O.C20H16BrF2N3O.C14H18BN3O2.C12H8BrN3O2S.C7H5BrO/c29-23-8-6-18(12-24(23)30)15-34-28(37)21-5-2-10-32-27(21)33-14-17-3-1-4-19(11-17)20-7-9-25-22(13-20)26(31)36-16-35-25;1-25(2)26(3,4)35-27(34-25)19-8-5-7-17(13-19)15-31-23-20(9-6-12-30-23)24(33)32-16-18-10-11-21(28)22(29)14-18;27-22-7-6-17(10-23(22)28)12-33-26(35)19-5-2-8-30-24(19)31-11-16-3-1-4-18(9-16)20-14-32-25-21(20)13-29-15-34-25;21-15-4-1-3-13(9-15)11-25-19-16(5-2-8-24-19)20(27)26-12-14-6-7-17(22)18(23)10-14;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(16)18-8-17-11;13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9;8-7-3-1-2-6(4-7)5-9/h1-13,16H,14-15H2,(H,32,33)(H,34,37)(H2,31,35,36);5-14H,15-16H2,1-4H3,(H,30,31)(H,32,33);1-10,13-15H,11-12H2,(H,30,31)(H,33,35)(H,29,32,34);1-10H,11-12H2,(H,24,25)(H,26,27);5-8H,1-4H3,(H2,16,17,18);1-8H;1-5H
• InChIKey: FODKWOSVBYUWKA-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 480.09 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.94
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?

The IUPAC name of 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine (CID 158091403) is 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine.

What is the SMILES notation for 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?

The canonical SMILES for 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine is CC1(C)OB(c2ccc3ncnc(N)c3c2)OC1(C)C.CC1(C)OB(c2cccc(CNc3ncccc3C(=O)NCc3ccc(F)c(F)c3)c2)OC1(C)C.Nc1ncnc2ccc(-c3cccc(CNc4ncccc4C(=O)NCc4ccc(F)c(F)c4)c3)cc12.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cccc(-c2c[nH]c3ncncc23)c1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1cccc(Br)c1.O=Cc1cccc(Br)c1.O=S(=O)(c1ccccc1)n1cc(Br)c2cncnc21.

What is the InChIKey of 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?

The InChIKey is FODKWOSVBYUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N6O.C26H28BF2N3O3.C26H20F2N6O.C20H16BrF2N3O.C14H18BN3O2.C12H8BrN3O2S.C7H5BrO/c29-23-8-6-18(12-24(23)30)15-34-28(37)21-5-2-10-32-27(21)33-14-17-3-1-4-19(11-17)20-7-9-25-22(13-20)26(31)36-16-35-25;1-25(2)26(3,4)35-27(34-25)19-8-5-7-17(13-19)15-31-23-20(9-6-12-30-23)24(33)32-16-18-10-11-21(28)22(29)14-18;27-22-7-6-17(10-23(22)28)12-33-26(35)19-5-2-8-30-24(19)31-11-16-3-1-4-18(9-16)20-14-32-25-21(20)13-29-15-34-25;21-15-4-1-3-13(9-15)11-25-19-16(5-2-8-24-19)20(27)26-12-14-6-7-17(22)18(23)10-14;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(16)18-8-17-11;13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9;8-7-3-1-2-6(4-7)5-9/h1-13,16H,14-15H2,(H,32,33)(H,34,37)(H2,31,35,36);5-14H,15-16H2,1-4H3,(H,30,31)(H,32,33);1-10,13-15H,11-12H2,(H,30,31)(H,33,35)(H,29,32,34);1-10H,11-12H2,(H,24,25)(H,26,27);5-8H,1-4H3,(H2,16,17,18);1-8H;1-5H.

What are the key properties of 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine?

2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine has a molecular weight of 2672.94 g/mol, XLogP of 25.00, 31 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(4-aminoquinazolin-6-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;3-bromobenzaldehyde;2-[(3-bromophenyl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 158091403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).