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

C21H22FN5O4 — CID 54684199

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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)n2CCN1Cc1ncco1
InChIInChI=1S/C21H22FN5O4/c1-21(2)20-25-16(18(29)24-11-13-3-5-14(22)6-4-13)17(28)19(30)27(20)9-8-26(21)12-15-23-7-10-31-15/h3-7,10,28H,8-9,11-12H2,1-2H3,(H,24,29)
InChIKeyPZGNEMVZPIRVPK-UHFFFAOYSA-N
MW427.44 g/mol
LogP1.76
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54684199) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54684199
Molecular FormulaC21H22FN5O4
Molecular Weight427.44 g/mol
Exact Mass427.17
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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)n2CCN1Cc1ncco1
InChIInChI=1S/C21H22FN5O4/c1-21(2)20-25-16(18(29)24-11-13-3-5-14(22)6-4-13)17(28)19(30)27(20)9-8-26(21)12-15-23-7-10-31-15/h3-7,10,28H,8-9,11-12H2,1-2H3,(H,24,29)
InChIKeyPZGNEMVZPIRVPK-UHFFFAOYSA-N
XLogP1.76
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-2-ylmethyl)-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-(1,3-oxazol-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-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54684199) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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-oxazol-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-oxazol-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)n2CCN1Cc1ncco1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is PZGNEMVZPIRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4/c1-21(2)20-25-16(18(29)24-11-13-3-5-14(22)6-4-13)17(28)19(30)27(20)9-8-26(21)12-15-23-7-10-31-15/h3-7,10,28H,8-9,11-12H2,1-2H3,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-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-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 1.76, 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-9,9-dimethyl-8-(1,3-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54684199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).