(4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

C25H24FN5O5 — CID 59377584

About (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

(4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 59377584) has the molecular formula C25H24FN5O5 and a molecular weight of 493.50 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
• PubChem CID: 59377584
• Molecular Formula: C25H24FN5O5
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.18
• IUPAC Name: (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
• SMILES: Cc1ccc(-n2ncc(=O)n(C)c2=O)cc1NC(=O)C1=CN(CCO)C(=O)C[C@H]1c1ccc(F)cc1
• InChI: InChI=1S/C25H24FN5O5/c1-15-3-8-18(31-25(36)29(2)23(34)13-27-31)11-21(15)28-24(35)20-14-30(9-10-32)22(33)12-19(20)16-4-6-17(26)7-5-16/h3-8,11,13-14,19,32H,9-10,12H2,1-2H3,(H,28,35)/t19-/m0/s1
• InChIKey: WUZPXAYAGDHMEY-IBGZPJMESA-N
• XLogP: 1.21
• TPSA: 126.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?

The IUPAC name of (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 59377584) is (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.

What is the SMILES notation for (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?

The canonical SMILES for (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is Cc1ccc(-n2ncc(=O)n(C)c2=O)cc1NC(=O)C1=CN(CCO)C(=O)C[C@H]1c1ccc(F)cc1.

What is the InChIKey of (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?

The InChIKey is WUZPXAYAGDHMEY-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24FN5O5/c1-15-3-8-18(31-25(36)29(2)23(34)13-27-31)11-21(15)28-24(35)20-14-30(9-10-32)22(33)12-19(20)16-4-6-17(26)7-5-16/h3-8,11,13-14,19,32H,9-10,12H2,1-2H3,(H,28,35)/t19-/m0/s1.

What are the key properties of (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?

(4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 493.50 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 59377584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).