N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C21H24FN3O5 — CID 67309095

IUPACN-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)OCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C21H24FN3O5/c1-13(2)30-10-9-24-7-8-25-12-16(18(26)19(27)17(25)21(24)29)20(28)23-11-14-3-5-15(22)6-4-14/h3-6,12-13,27H,7-11H2,1-2H3,(H,23,28)
InChIKeyMMXPYDZDCPIKAC-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.50
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 67309095) has the molecular formula C21H24FN3O5 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID67309095
Molecular FormulaC21H24FN3O5
Molecular Weight417.44 g/mol
Exact Mass417.17
IUPAC NameN-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)OCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O
InChIInChI=1S/C21H24FN3O5/c1-13(2)30-10-9-24-7-8-25-12-16(18(26)19(27)17(25)21(24)29)20(28)23-11-14-3-5-15(22)6-4-14/h3-6,12-13,27H,7-11H2,1-2H3,(H,23,28)
InChIKeyMMXPYDZDCPIKAC-UHFFFAOYSA-N
XLogP1.50
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 67309095) is N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CC(C)OCCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is MMXPYDZDCPIKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O5/c1-13(2)30-10-9-24-7-8-25-12-16(18(26)19(27)17(25)21(24)29)20(28)23-11-14-3-5-15(22)6-4-14/h3-6,12-13,27H,7-11H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-hydroxy-1,8-dioxo-2-(2-propan-2-yloxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 67309095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).