N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide

C24H22FN3O4 — CID 27378083

IUPACN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccccc1F
InChIInChI=1S/C24H22FN3O4/c25-19-9-5-4-8-18(19)23(30)26-10-11-27-12-13-28-15-22(21(29)14-20(28)24(27)31)32-16-17-6-2-1-3-7-17/h1-9,14-15H,10-13,16H2,(H,26,30)
InChIKeyULVVCNMRJBWEHO-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.45
Rot. Bonds7

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

N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 27378083) has the molecular formula C24H22FN3O4 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
PubChem CID27378083
Molecular FormulaC24H22FN3O4
Molecular Weight435.46 g/mol
Exact Mass435.16
IUPAC NameN-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
SMILESO=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccccc1F
InChIInChI=1S/C24H22FN3O4/c25-19-9-5-4-8-18(19)23(30)26-10-11-27-12-13-28-15-22(21(29)14-20(28)24(27)31)32-16-17-6-2-1-3-7-17/h1-9,14-15H,10-13,16H2,(H,26,30)
InChIKeyULVVCNMRJBWEHO-UHFFFAOYSA-N
XLogP2.45
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide (CID 27378083) is N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide is O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccccc1F.
What is the InChIKey of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is ULVVCNMRJBWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4/c25-19-9-5-4-8-18(19)23(30)26-10-11-27-12-13-28-15-22(21(29)14-20(28)24(27)31)32-16-17-6-2-1-3-7-17/h1-9,14-15H,10-13,16H2,(H,26,30).
What are the key properties of N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 435.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,8-dioxo-7-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 27378083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).