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

C21H25N7O3 — CID 143421764

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

6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 143421764) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
• PubChem CID: 143421764
• Molecular Formula: C21H25N7O3
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.20
• IUPAC Name: 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN3C(C)C)c(-n2ncnc2C)c1
• InChI: InChI=1S/C21H25N7O3/c1-12(2)26-7-8-27-20(31)18(29)17(25-21(26)27)19(30)22-10-15-6-5-13(3)9-16(15)28-14(4)23-11-24-28/h5-6,9,11-12,29H,7-8,10H2,1-4H3,(H,22,30)
• InChIKey: NBEPKSUGKYHVGV-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 118.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (CID 143421764) is 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

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

The canonical SMILES for 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCN3C(C)C)c(-n2ncnc2C)c1.

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

The InChIKey is NBEPKSUGKYHVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-12(2)26-7-8-27-20(31)18(29)17(25-21(26)27)19(30)22-10-15-6-5-13(3)9-16(15)28-14(4)23-11-24-28/h5-6,9,11-12,29H,7-8,10H2,1-4H3,(H,22,30).

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

6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-N-[[4-methyl-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143421764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).