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

C22H23FN6O3 — CID 54686311

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cnccn1
InChIInChI=1S/C22H23FN6O3/c1-22(2)21-27-17(19(31)26-11-14-3-5-15(23)6-4-14)18(30)20(32)29(21)10-9-28(22)13-16-12-24-7-8-25-16/h3-8,12,30H,9-11,13H2,1-2H3,(H,26,31)
InChIKeyMEVBQALABMFNRZ-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.56
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54686311) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54686311
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cnccn1
InChIInChI=1S/C22H23FN6O3/c1-22(2)21-27-17(19(31)26-11-14-3-5-15(23)6-4-14)18(30)20(32)29(21)10-9-28(22)13-16-12-24-7-8-25-16/h3-8,12,30H,9-11,13H2,1-2H3,(H,26,31)
InChIKeyMEVBQALABMFNRZ-UHFFFAOYSA-N
XLogP1.56
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54686311) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cnccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MEVBQALABMFNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c1-22(2)21-27-17(19(31)26-11-14-3-5-15(23)6-4-14)18(30)20(32)29(21)10-9-28(22)13-16-12-24-7-8-25-16/h3-8,12,30H,9-11,13H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.56, 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-4-oxo-8-(pyrazin-2-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54686311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).