N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

C22H18FN7O3 — CID 54680796

About N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 54680796) has the molecular formula C22H18FN7O3 and a molecular weight of 447.43 g/mol. Its IUPAC name is N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
• PubChem CID: 54680796
• Molecular Formula: C22H18FN7O3
• Molecular Weight: 447.43 g/mol
• Exact Mass: 447.15
• IUPAC Name: N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1-n1cncn1)c1nc2n(c(=O)c1O)CCN2c1ccccc1
• InChI: InChI=1S/C22H18FN7O3/c23-15-7-6-14(17(10-15)30-13-24-12-26-30)11-25-20(32)18-19(31)21(33)29-9-8-28(22(29)27-18)16-4-2-1-3-5-16/h1-7,10,12-13,31H,8-9,11H2,(H,25,32)
• InChIKey: WGMGFVOEFUXNJD-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 118.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.43
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?

The IUPAC name of N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (CID 54680796) is N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

What is the SMILES notation for N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?

The canonical SMILES for N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(F)cc1-n1cncn1)c1nc2n(c(=O)c1O)CCN2c1ccccc1.

What is the InChIKey of N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?

The InChIKey is WGMGFVOEFUXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O3/c23-15-7-6-14(17(10-15)30-13-24-12-26-30)11-25-20(32)18-19(31)21(33)29-9-8-28(22(29)27-18)16-4-2-1-3-5-16/h1-7,10,12-13,31H,8-9,11H2,(H,25,32).

What are the key properties of N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?

N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 447.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-6-hydroxy-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 54680796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).