5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one

C18H17FN4O2 — CID 142886051

IUPAC5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one
SMILESNC1c2cccnc2C(O)=C2C(=O)N(Cc3ccc(F)cc3)CCN21
InChIInChI=1S/C18H17FN4O2/c19-12-5-3-11(4-6-12)10-22-8-9-23-15(18(22)25)16(24)14-13(17(23)20)2-1-7-21-14/h1-7,17,24H,8-10,20H2
InChIKeyYYCKTGWMCDMPSU-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.76
Rot. Bonds2

About 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one

5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one (PubChem CID 142886051) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one
PubChem CID142886051
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one
SMILESNC1c2cccnc2C(O)=C2C(=O)N(Cc3ccc(F)cc3)CCN21
InChIInChI=1S/C18H17FN4O2/c19-12-5-3-11(4-6-12)10-22-8-9-23-15(18(22)25)16(24)14-13(17(23)20)2-1-7-21-14/h1-7,17,24H,8-10,20H2
InChIKeyYYCKTGWMCDMPSU-UHFFFAOYSA-N
XLogP1.76
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54697548
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[2-(1-piperidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54702923
7-[(4-Fluorophenyl)methyl]-4-hydroxy-n-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54716309
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-isobutyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54729989
N-ethyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729991
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54730002
7-benzyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54752119
N-Cyclopropyl-1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 58882916

Frequently Asked Questions

What is the IUPAC name of 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one?
The IUPAC name of 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one (CID 142886051) is 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one.
What is the SMILES notation for 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one?
The canonical SMILES for 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one is NC1c2cccnc2C(O)=C2C(=O)N(Cc3ccc(F)cc3)CCN21.
What is the InChIKey of 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one?
The InChIKey is YYCKTGWMCDMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-12-5-3-11(4-6-12)10-22-8-9-23-15(18(22)25)16(24)14-13(17(23)20)2-1-7-21-14/h1-7,17,24H,8-10,20H2.
What are the key properties of 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one?
5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one has a molecular weight of 340.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydro-5H-pyrazino[1,2-g][1,6]naphthyridin-10-one is sourced from PubChem (CID 142886051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).