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

C23H28FN3O4 — CID 27378105

IUPAC2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C23H28FN3O4/c1-3-17(4-2)22(29)25-9-10-26-11-12-27-14-21(20(28)13-19(27)23(26)30)31-15-16-5-7-18(24)8-6-16/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,25,29)
InChIKeyNRXDPPQNVSTMFB-UHFFFAOYSA-N
MW429.49 g/mol
LogP2.57
Rot. Bonds9

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

2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide (PubChem CID 27378105) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide
PubChem CID27378105
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C23H28FN3O4/c1-3-17(4-2)22(29)25-9-10-26-11-12-27-14-21(20(28)13-19(27)23(26)30)31-15-16-5-7-18(24)8-6-16/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,25,29)
InChIKeyNRXDPPQNVSTMFB-UHFFFAOYSA-N
XLogP2.57
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide (CID 27378105) is 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide is CCC(CC)C(=O)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O.
What is the InChIKey of 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide?
The InChIKey is NRXDPPQNVSTMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-3-17(4-2)22(29)25-9-10-26-11-12-27-14-21(20(28)13-19(27)23(26)30)31-15-16-5-7-18(24)8-6-16/h5-8,13-14,17H,3-4,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide?
2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide has a molecular weight of 429.49 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]butanamide is sourced from PubChem (CID 27378105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).