N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

C22H23F2N3O4 — CID 170855376

IUPACN-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)CC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O
InChIInChI=1S/C22H23F2N3O4/c1-12(2)8-13(3)27-7-6-26-11-16(19(28)20(29)18(26)22(27)31)21(30)25-10-14-4-5-15(23)9-17(14)24/h4-7,9,11-13,29H,8,10H2,1-3H3,(H,25,30)
InChIKeyOFOSHEXBLKHQHY-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.98
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 170855376) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID170855376
Molecular FormulaC22H23F2N3O4
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)CC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O
InChIInChI=1S/C22H23F2N3O4/c1-12(2)8-13(3)27-7-6-26-11-16(19(28)20(29)18(26)22(27)31)21(30)25-10-14-4-5-15(23)9-17(14)24/h4-7,9,11-13,29H,8,10H2,1-3H3,(H,25,30)
InChIKeyOFOSHEXBLKHQHY-UHFFFAOYSA-N
XLogP2.98
TPSA92.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide (CID 170855376) is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is CC(C)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-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is OFOSHEXBLKHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-12(2)8-13(3)27-7-6-26-11-16(19(28)20(29)18(26)22(27)31)21(30)25-10-14-4-5-15(23)9-17(14)24/h4-7,9,11-13,29H,8,10H2,1-3H3,(H,25,30).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-(4-methylpentan-2-yl)-1,8-dioxopyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 170855376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).