N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

C21H23FN6O4 — CID 54698290

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nnc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)o1
InChIInChI=1S/C21H23FN6O4/c1-12-25-26-15(32-12)11-27-8-9-28-19(31)17(29)16(24-20(28)21(27,2)3)18(30)23-10-13-4-6-14(22)7-5-13/h4-7,29H,8-11H2,1-3H3,(H,23,30)
InChIKeyCQGJPRCGYMTYET-UHFFFAOYSA-N
MW442.45 g/mol
LogP1.46
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54698290) has the molecular formula C21H23FN6O4 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54698290
Molecular FormulaC21H23FN6O4
Molecular Weight442.45 g/mol
Exact Mass442.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCc1nnc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)o1
InChIInChI=1S/C21H23FN6O4/c1-12-25-26-15(32-12)11-27-8-9-28-19(31)17(29)16(24-20(28)21(27,2)3)18(30)23-10-13-4-6-14(22)7-5-13/h4-7,29H,8-11H2,1-3H3,(H,23,30)
InChIKeyCQGJPRCGYMTYET-UHFFFAOYSA-N
XLogP1.46
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54698290) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is Cc1nnc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CQGJPRCGYMTYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O4/c1-12-25-26-15(32-12)11-27-8-9-28-19(31)17(29)16(24-20(28)21(27,2)3)18(30)23-10-13-4-6-14(22)7-5-13/h4-7,29H,8-11H2,1-3H3,(H,23,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 1.46, 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-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54698290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).