2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one

C19H12ClFN4O2 — CID 158646066

IUPAC2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2-c1cnccn1
InChIInChI=1S/C19H12ClFN4O2/c20-14-8-12(1-2-15(14)21)27-10-11-7-17(26)13-3-4-24-19(18(13)25-11)16-9-22-5-6-23-16/h1-6,8-9H,7,10H2
InChIKeyIAZDPXWUPYHXOI-UHFFFAOYSA-N
MW382.78 g/mol
LogP4.07
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one

2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one (PubChem CID 158646066) has the molecular formula C19H12ClFN4O2 and a molecular weight of 382.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one
PubChem CID158646066
Molecular FormulaC19H12ClFN4O2
Molecular Weight382.78 g/mol
Exact Mass382.06
IUPAC Name2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one
SMILESO=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2-c1cnccn1
InChIInChI=1S/C19H12ClFN4O2/c20-14-8-12(1-2-15(14)21)27-10-11-7-17(26)13-3-4-24-19(18(13)25-11)16-9-22-5-6-23-16/h1-6,8-9H,7,10H2
InChIKeyIAZDPXWUPYHXOI-UHFFFAOYSA-N
XLogP4.07
TPSA77.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[2-[(3-chloro-4-fluorophenoxy)methyl]-4-oxo-3H-1,7-naphthyridin-8-yl]-1,3-thiazole-2-carboxylate
CID 161427490
2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-1,7-naphthyridin-4-one
CID 161302627
2-[(3-chloro-4-fluorophenoxy)methyl]-8-[[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]methyl]-3H-1,7-naphthyridin-4-one
CID 149075588
2-[(4-fluorophenoxy)methyl]-3H-1,7-naphthyridin-4-one
CID 159425716
3-[(3-chloro-4-fluorophenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 138047646
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide
CID 149332250
8-(2-amino-1,3-thiazol-5-yl)-2-[(3-chloro-4-fluorophenoxy)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053311
2-[(4-butylphenoxy)methyl]-3H-1,7-naphthyridin-4-one
CID 149037989
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63877646
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one?
The IUPAC name of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one (CID 158646066) is 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one?
The canonical SMILES for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one is O=C1CC(COc2ccc(F)c(Cl)c2)=Nc2c1ccnc2-c1cnccn1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one?
The InChIKey is IAZDPXWUPYHXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2/c20-14-8-12(1-2-15(14)21)27-10-11-7-17(26)13-3-4-24-19(18(13)25-11)16-9-22-5-6-23-16/h1-6,8-9H,7,10H2.
What are the key properties of 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one?
2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one has a molecular weight of 382.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenoxy)methyl]-8-pyrazin-2-yl-3H-1,7-naphthyridin-4-one is sourced from PubChem (CID 158646066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).