4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

C112H131B2Br6F4N23O13 — CID 158094485

About 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine

4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 158094485) has the molecular formula C112H131B2Br6F4N23O13 and a molecular weight of 2584.47 g/mol. Its IUPAC name is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

• Compound Name: 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• PubChem CID: 158094485
• Molecular Formula: C112H131B2Br6F4N23O13
• Molecular Weight: 2584.47 g/mol
• Exact Mass: 2577.55
• IUPAC Name: 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
• SMILES: CC1(C)OB(C2=CCNCC2)OC1(C)C.CC1(C)OB(c2cc(C3CCOCC3)cnc2N)OC1(C)C.CN(Cc1ncccn1)C(=O)c1ccc(-c2cc(C3CCOCC3)cnc2N)cc1F.CN(Cc1ncccn1)C(=O)c1ccc(Br)cc1F.NCc1ncccn1.Nc1ccc(Br)cn1.Nc1ncc(C2CCOCC2)cc1Br.Nc1ncc(C2CCOCC2)cc1Br.O=C(NCc1ncccn1)c1ccc(Br)cc1F.O=C(O)c1ccc(Br)cc1F
• InChI: InChI=1S/C23H24FN5O2.C16H25BN2O3.C13H11BrFN3O.C12H9BrFN3O.C11H20BNO2.2C10H13BrN2O.C7H4BrFO2.C5H5BrN2.C5H7N3/c1-29(14-21-26-7-2-8-27-21)23(30)18-4-3-16(12-20(18)24)19-11-17(13-28-22(19)25)15-5-9-31-10-6-15;1-15(2)16(3,4)22-17(21-15)13-9-12(10-19-14(13)18)11-5-7-20-8-6-11;1-18(8-12-16-5-2-6-17-12)13(19)10-4-3-9(14)7-11(10)15;13-8-2-3-9(10(14)6-8)12(18)17-7-11-15-4-1-5-16-11;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;2*11-9-5-8(6-13-10(9)12)7-1-3-14-4-2-7;8-4-1-2-5(7(10)11)6(9)3-4;6-4-1-2-5(7)8-3-4;6-4-5-7-2-1-3-8-5/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H2,25,28);9-11H,5-8H2,1-4H3,(H2,18,19);2-7H,8H2,1H3;1-6H,7H2,(H,17,18);5,13H,6-8H2,1-4H3;2*5-7H,1-4H2,(H2,12,13);1-3H,(H,10,11);1-3H,(H2,7,8);1-3H,4,6H2
• InChIKey: FOMSTRIFELYPHW-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 516.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.47
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine (CID 158094485) is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The canonical SMILES for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is CC1(C)OB(C2=CCNCC2)OC1(C)C.CC1(C)OB(c2cc(C3CCOCC3)cnc2N)OC1(C)C.CN(Cc1ncccn1)C(=O)c1ccc(-c2cc(C3CCOCC3)cnc2N)cc1F.CN(Cc1ncccn1)C(=O)c1ccc(Br)cc1F.NCc1ncccn1.Nc1ccc(Br)cn1.Nc1ncc(C2CCOCC2)cc1Br.Nc1ncc(C2CCOCC2)cc1Br.O=C(NCc1ncccn1)c1ccc(Br)cc1F.O=C(O)c1ccc(Br)cc1F.

What is the InChIKey of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

The InChIKey is FOMSTRIFELYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2.C16H25BN2O3.C13H11BrFN3O.C12H9BrFN3O.C11H20BNO2.2C10H13BrN2O.C7H4BrFO2.C5H5BrN2.C5H7N3/c1-29(14-21-26-7-2-8-27-21)23(30)18-4-3-16(12-20(18)24)19-11-17(13-28-22(19)25)15-5-9-31-10-6-15;1-15(2)16(3,4)22-17(21-15)13-9-12(10-19-14(13)18)11-5-7-20-8-6-11;1-18(8-12-16-5-2-6-17-12)13(19)10-4-3-9(14)7-11(10)15;13-8-2-3-9(10(14)6-8)12(18)17-7-11-15-4-1-5-16-11;1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9;2*11-9-5-8(6-13-10(9)12)7-1-3-14-4-2-7;8-4-1-2-5(7(10)11)6(9)3-4;6-4-1-2-5(7)8-3-4;6-4-5-7-2-1-3-8-5/h2-4,7-8,11-13,15H,5-6,9-10,14H2,1H3,(H2,25,28);9-11H,5-8H2,1-4H3,(H2,18,19);2-7H,8H2,1H3;1-6H,7H2,(H,17,18);5,13H,6-8H2,1-4H3;2*5-7H,1-4H2,(H2,12,13);1-3H,(H,10,11);1-3H,(H2,7,8);1-3H,4,6H2.

What are the key properties of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?

4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 2584.47 g/mol, XLogP of 20.07, 18 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-N-methyl-N-(pyrimidin-2-ylmethyl)benzamide;4-bromo-2-fluoro-N-(pyrimidin-2-ylmethyl)benzamide;bis(3-bromo-5-(oxan-4-yl)pyridin-2-amine);5-bromopyridin-2-amine;5-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;pyrimidin-2-ylmethanamine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 158094485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).