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

C19H19F2N3O4 — CID 137434726

IUPACN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H19F2N3O4/c1-10(2)24-6-5-23-9-13(16(25)17(26)15(23)19(24)28)18(27)22-8-11-3-4-12(20)7-14(11)21/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,22,27)
InChIKeyWBXOQRYBCXEIGJ-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.63
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 137434726) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID137434726
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)N1CCn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
InChIInChI=1S/C19H19F2N3O4/c1-10(2)24-6-5-23-9-13(16(25)17(26)15(23)19(24)28)18(27)22-8-11-3-4-12(20)7-14(11)21/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,22,27)
InChIKeyWBXOQRYBCXEIGJ-UHFFFAOYSA-N
XLogP1.63
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 137434726) is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CC(C)N1CCn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is WBXOQRYBCXEIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-10(2)24-6-5-23-9-13(16(25)17(26)15(23)19(24)28)18(27)22-8-11-3-4-12(20)7-14(11)21/h3-4,7,9-10,26H,5-6,8H2,1-2H3,(H,22,27).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 137434726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).