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

C24H27FN6O4 — CID 54698273

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide
SMILESCn1ccc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C23CCOCC3)n1
InChIInChI=1S/C24H27FN6O4/c1-29-9-6-18(28-29)15-30-10-11-31-22(34)20(32)19(27-23(31)24(30)7-12-35-13-8-24)21(33)26-14-16-2-4-17(25)5-3-16/h2-6,9,32H,7-8,10-15H2,1H3,(H,26,33)
InChIKeyFCYPNYZIYPFURY-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.27
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide (PubChem CID 54698273) has the molecular formula C24H27FN6O4 and a molecular weight of 482.52 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-9,4'-oxane]-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide
PubChem CID54698273
Molecular FormulaC24H27FN6O4
Molecular Weight482.52 g/mol
Exact Mass482.21
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide
SMILESCn1ccc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C23CCOCC3)n1
InChIInChI=1S/C24H27FN6O4/c1-29-9-6-18(28-29)15-30-10-11-31-22(34)20(32)19(27-23(31)24(30)7-12-35-13-8-24)21(33)26-14-16-2-4-17(25)5-3-16/h2-6,9,32H,7-8,10-15H2,1H3,(H,26,33)
InChIKeyFCYPNYZIYPFURY-UHFFFAOYSA-N
XLogP1.27
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-9,4'-oxane]-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-9,4'-oxane]-2-carboxamide (CID 54698273) is N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-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-9,4'-oxane]-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-9,4'-oxane]-2-carboxamide is Cn1ccc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C23CCOCC3)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-9,4'-oxane]-2-carboxamide?
The InChIKey is FCYPNYZIYPFURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O4/c1-29-9-6-18(28-29)15-30-10-11-31-22(34)20(32)19(27-23(31)24(30)7-12-35-13-8-24)21(33)26-14-16-2-4-17(25)5-3-16/h2-6,9,32H,7-8,10-15H2,1H3,(H,26,33).
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-9,4'-oxane]-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-8-[(1-methylpyrazol-3-yl)methyl]-4-oxospiro[6,7-dihydropyrazino[1,2-a]pyrimidine-9,4'-oxane]-2-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-9,4'-oxane]-2-carboxamide is sourced from PubChem (CID 54698273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).