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

C20H21FN6O4 — CID 54698288

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1nnco1
InChIInChI=1S/C20H21FN6O4/c1-20(2)19-24-15(17(29)22-9-12-3-5-13(21)6-4-12)16(28)18(30)27(19)8-7-26(20)10-14-25-23-11-31-14/h3-6,11,28H,7-10H2,1-2H3,(H,22,29)
InChIKeyPIBUTAZRMNUMRK-UHFFFAOYSA-N
MW428.42 g/mol
LogP1.15
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54698288) has the molecular formula C20H21FN6O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54698288
Molecular FormulaC20H21FN6O4
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1nnco1
InChIInChI=1S/C20H21FN6O4/c1-20(2)19-24-15(17(29)22-9-12-3-5-13(21)6-4-12)16(28)18(30)27(19)8-7-26(20)10-14-25-23-11-31-14/h3-6,11,28H,7-10H2,1-2H3,(H,22,29)
InChIKeyPIBUTAZRMNUMRK-UHFFFAOYSA-N
XLogP1.15
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.15
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-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-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-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54698288) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-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-(1,3,4-oxadiazol-2-ylmethyl)-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-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1nnco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is PIBUTAZRMNUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O4/c1-20(2)19-24-15(17(29)22-9-12-3-5-13(21)6-4-12)16(28)18(30)27(19)8-7-26(20)10-14-25-23-11-31-14/h3-6,11,28H,7-10H2,1-2H3,(H,22,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 1.15, 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-(1,3,4-oxadiazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54698288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).