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

C24H28FN3O4 — CID 27378107

IUPAC2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C24H28FN3O4/c25-19-7-5-18(6-8-19)16-32-22-15-28-12-11-27(24(31)20(28)14-21(22)29)10-9-26-23(30)13-17-3-1-2-4-17/h5-8,14-15,17H,1-4,9-13,16H2,(H,26,30)
InChIKeyYJEOESAFQIZXQX-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.72
Rot. Bonds8

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

2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide (PubChem CID 27378107) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide
PubChem CID27378107
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O
InChIInChI=1S/C24H28FN3O4/c25-19-7-5-18(6-8-19)16-32-22-15-28-12-11-27(24(31)20(28)14-21(22)29)10-9-26-23(30)13-17-3-1-2-4-17/h5-8,14-15,17H,1-4,9-13,16H2,(H,26,30)
InChIKeyYJEOESAFQIZXQX-UHFFFAOYSA-N
XLogP2.72
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide (CID 27378107) is 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide is O=C(CC1CCCC1)NCCN1CCn2cc(OCc3ccc(F)cc3)c(=O)cc2C1=O.
What is the InChIKey of 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide?
The InChIKey is YJEOESAFQIZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c25-19-7-5-18(6-8-19)16-32-22-15-28-12-11-27(24(31)20(28)14-21(22)29)10-9-26-23(30)13-17-3-1-2-4-17/h5-8,14-15,17H,1-4,9-13,16H2,(H,26,30).
What are the key properties of 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide?
2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide has a molecular weight of 441.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[7-[(4-fluorophenyl)methoxy]-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]acetamide is sourced from PubChem (CID 27378107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).