3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide

C18H17F2N3O4 — CID 27378045

IUPAC3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C18H17F2N3O4/c1-27-16-10-23-7-6-22(18(26)14(23)9-15(16)24)5-4-21-17(25)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H,21,25)
InChIKeyPPKXMLRGVWFCPI-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.02
Rot. Bonds5

About 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide

3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide (PubChem CID 27378045) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
PubChem CID27378045
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C18H17F2N3O4/c1-27-16-10-23-7-6-22(18(26)14(23)9-15(16)24)5-4-21-17(25)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H,21,25)
InChIKeyPPKXMLRGVWFCPI-UHFFFAOYSA-N
XLogP1.02
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide (CID 27378045) is 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc(F)c(F)c1)CC2.
What is the InChIKey of 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
The InChIKey is PPKXMLRGVWFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c1-27-16-10-23-7-6-22(18(26)14(23)9-15(16)24)5-4-21-17(25)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H,21,25).
What are the key properties of 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide has a molecular weight of 377.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide is sourced from PubChem (CID 27378045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).