5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine

C113H109B3Br2F17N21O11 — CID 160709073

About 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine

5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 160709073) has the molecular formula C113H109B3Br2F17N21O11 and a molecular weight of 2452.46 g/mol. Its IUPAC name is 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine
• PubChem CID: 160709073
• Molecular Formula: C113H109B3Br2F17N21O11
• Molecular Weight: 2452.46 g/mol
• Exact Mass: 2449.70
• IUPAC Name: 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine
• SMILES: Brc1cnc(Cc2cnn3ccccc23)nc1.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Cc1ncc(N)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn5ccccc45)nc3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1C(F)(F)F.Fc1ncc(Br)cn1.Nc1cnn2ccccc12
• InChI: InChI=1S/C27H20F4N6O.2C21H23BF4N2O3.C14H18BFO4.C12H9BrN4.C7H7F3N2.C7H7N3.C4H2BrFN2/c1-16-22(27(29,30)31)11-21(15-32-16)36-26(38)10-18-6-5-17(8-23(18)28)20-12-33-25(34-13-20)9-19-14-35-37-7-3-2-4-24(19)37;2*1-12-16(21(24,25)26)10-15(11-27-12)28-18(29)8-13-6-7-14(9-17(13)23)22-30-19(2,3)20(4,5)31-22;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;13-10-7-14-12(15-8-10)5-9-6-16-17-4-2-1-3-11(9)17;1-4-6(7(8,9)10)2-5(11)3-12-4;8-6-5-9-10-4-2-1-3-7(6)10;5-3-1-7-4(6)8-2-3/h2-8,11-15H,9-10H2,1H3,(H,36,38);2*6-7,9-11H,8H2,1-5H3,(H,28,29);5-6,8H,7H2,1-4H3,(H,17,18);1-4,6-8H,5H2;2-3H,11H2,1H3;1-5H,8H2;1-2H
• InChIKey: RRPOAAKXQAXQES-UHFFFAOYSA-N
• XLogP: 22.00
• TPSA: 412.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2452.46
LogP ≤ 5	22.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine?

The IUPAC name of 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine (CID 160709073) is 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine.

What is the SMILES notation for 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine?

The canonical SMILES for 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine is Brc1cnc(Cc2cnn3ccccc23)nc1.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Cc1ncc(N)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(-c3cnc(Cc4cnn5ccccc45)nc3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1C(F)(F)F.Cc1ncc(NC(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)cc1C(F)(F)F.Fc1ncc(Br)cn1.Nc1cnn2ccccc12.

What is the InChIKey of 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine?

The InChIKey is RRPOAAKXQAXQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F4N6O.2C21H23BF4N2O3.C14H18BFO4.C12H9BrN4.C7H7F3N2.C7H7N3.C4H2BrFN2/c1-16-22(27(29,30)31)11-21(15-32-16)36-26(38)10-18-6-5-17(8-23(18)28)20-12-33-25(34-13-20)9-19-14-35-37-7-3-2-4-24(19)37;2*1-12-16(21(24,25)26)10-15(11-27-12)28-18(29)8-13-6-7-14(9-17(13)23)22-30-19(2,3)20(4,5)31-22;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;13-10-7-14-12(15-8-10)5-9-6-16-17-4-2-1-3-11(9)17;1-4-6(7(8,9)10)2-5(11)3-12-4;8-6-5-9-10-4-2-1-3-7(6)10;5-3-1-7-4(6)8-2-3/h2-8,11-15H,9-10H2,1H3,(H,36,38);2*6-7,9-11H,8H2,1-5H3,(H,28,29);5-6,8H,7H2,1-4H3,(H,17,18);1-4,6-8H,5H2;2-3H,11H2,1H3;1-5H,8H2;1-2H.

What are the key properties of 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine?

5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 2452.46 g/mol, XLogP of 22.00, 19 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoropyrimidine;3-[(5-bromopyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyridine;2-[2-fluoro-4-[2-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;bis(2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide);6-methyl-5-(trifluoromethyl)pyridin-3-amine;pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 160709073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).