N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide

C22H23FN6O3 — CID 54698274

About N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide (PubChem CID 54698274) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide
• PubChem CID: 54698274
• Molecular Formula: C22H23FN6O3
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.18
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide
• SMILES: Cn1ccc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C23CC3)n1
• InChI: InChI=1S/C22H23FN6O3/c1-27-9-6-16(26-27)13-28-10-11-29-20(32)18(30)17(25-21(29)22(28)7-8-22)19(31)24-12-14-2-4-15(23)5-3-14/h2-6,9,30H,7-8,10-13H2,1H3,(H,24,31)
• InChIKey: NXVYEHSAABGFST-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 105.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide (CID 54698274) is N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide is Cn1ccc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C23CC3)n1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide?

The InChIKey is NXVYEHSAABGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-27-9-6-16(26-27)13-28-10-11-29-20(32)18(30)17(25-21(29)22(28)7-8-22)19(31)24-12-14-2-4-15(23)5-3-14/h2-6,9,30H,7-8,10-13H2,1H3,(H,24,31).

What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide?

N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 54698274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).