5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C23H18BrFN6O2 — CID 171483457

About 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 171483457) has the molecular formula C23H18BrFN6O2 and a molecular weight of 509.34 g/mol. Its IUPAC name is 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 171483457
• Molecular Formula: C23H18BrFN6O2
• Molecular Weight: 509.34 g/mol
• Exact Mass: 508.07
• IUPAC Name: 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(Br)cn(Cc2ccccc2F)c1=O
• InChI: InChI=1S/C23H18BrFN6O2/c24-15-10-17(23(33)30(12-15)11-14-4-1-2-5-18(14)25)22(32)28-20-7-3-6-19(27-20)21-29-26-13-31(21)16-8-9-16/h1-7,10,12-13,16H,8-9,11H2,(H,27,28,32)
• InChIKey: AWFVGPKMHWCBLR-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.34
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 171483457) is 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(Nc1cccc(-c2nncn2C2CC2)n1)c1cc(Br)cn(Cc2ccccc2F)c1=O.

What is the InChIKey of 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is AWFVGPKMHWCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrFN6O2/c24-15-10-17(23(33)30(12-15)11-14-4-1-2-5-18(14)25)22(32)28-20-7-3-6-19(27-20)21-29-26-13-31(21)16-8-9-16/h1-7,10,12-13,16H,8-9,11H2,(H,27,28,32).

What are the key properties of 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?

5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 509.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 171483457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).