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

C19H17F2N3O4 — CID 170855320

IUPACN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O
InChIInChI=1S/C19H17F2N3O4/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/h3-7,9-10,26H,8H2,1-2H3,(H,22,27)
InChIKeyQDLQFCRUYCMEHP-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.96
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 170855320) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID170855320
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)n1ccn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2c1=O
InChIInChI=1S/C19H17F2N3O4/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/h3-7,9-10,26H,8H2,1-2H3,(H,22,27)
InChIKeyQDLQFCRUYCMEHP-UHFFFAOYSA-N
XLogP1.96
TPSA92.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.96
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-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide (CID 170855320) is N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[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-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[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-ylpyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is QDLQFCRUYCMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/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/h3-7,9-10,26H,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-ylpyrido[1,2-a]pyrazine-7-carboxamide?
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 1.96, 4 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-1,8-dioxo-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 170855320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).