2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide

C21H24FN3O4 — CID 86303819

IUPAC2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)c1c(C(=O)N(C)C)n2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O4/c1-12(2)15-16(20(28)23(3)4)25-10-9-24(11-13-5-7-14(22)8-6-13)21(29)17(25)19(27)18(15)26/h5-8,12,27H,9-11H2,1-4H3
InChIKeySWGDYZWCAJBZTN-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.17
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide

2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide (PubChem CID 86303819) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
PubChem CID86303819
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide
SMILESCC(C)c1c(C(=O)N(C)C)n2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C21H24FN3O4/c1-12(2)15-16(20(28)23(3)4)25-10-9-24(11-13-5-7-14(22)8-6-13)21(29)17(25)19(27)18(15)26/h5-8,12,27H,9-11H2,1-4H3
InChIKeySWGDYZWCAJBZTN-UHFFFAOYSA-N
XLogP2.17
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide (CID 86303819) is 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide is CC(C)c1c(C(=O)N(C)C)n2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SWGDYZWCAJBZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-12(2)15-16(20(28)23(3)4)25-10-9-24(11-13-5-7-14(22)8-6-13)21(29)17(25)19(27)18(15)26/h5-8,12,27H,9-11H2,1-4H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide?
2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-7-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 86303819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).