8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

C25H16ClF2N5O2 — CID 89434293

IUPAC8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESNc1nccc(Oc2ccc(Nc3nccc4ccn(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
InChIInChI=1S/C25H16ClF2N5O2/c26-22-20(8-11-30-23(22)29)35-19-6-3-16(13-18(19)28)32-24-21-14(7-10-31-24)9-12-33(25(21)34)17-4-1-15(27)2-5-17/h1-13H,(H2,29,30)(H,31,32)
InChIKeyBFSZDJBZPXCQJS-UHFFFAOYSA-N
MW491.89 g/mol
LogP5.83
Rot. Bonds5

About 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one

8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (PubChem CID 89434293) has the molecular formula C25H16ClF2N5O2 and a molecular weight of 491.89 g/mol. Its IUPAC name is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
PubChem CID89434293
Molecular FormulaC25H16ClF2N5O2
Molecular Weight491.89 g/mol
Exact Mass491.10
IUPAC Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
SMILESNc1nccc(Oc2ccc(Nc3nccc4ccn(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
InChIInChI=1S/C25H16ClF2N5O2/c26-22-20(8-11-30-23(22)29)35-19-6-3-16(13-18(19)28)32-24-21-14(7-10-31-24)9-12-33(25(21)34)17-4-1-15(27)2-5-17/h1-13H,(H2,29,30)(H,31,32)
InChIKeyBFSZDJBZPXCQJS-UHFFFAOYSA-N
XLogP5.83
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one with MolForge

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Related Compounds

Bms-777607
CID 24794418
N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 44155856
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218744
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-4-(propan-2-yloxy)-1,2-dihydropyridine-3-carboxamide
CID 25218745
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-4-(2-hydroxyethoxy)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218746
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 155516767
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3-chlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155549963
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-dimethylphenyl)-2-oxoquinoline-3-carboxamide
CID 155564649
N-[2-fluoro-4-[[2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 164611062
5-chloro-6-(4-(1-(4-fluorobenzyl)piperidin-4-yl)piperazin-1-yl)-N-(2-phenoxyethyl)nicotinamide
CID 11526863

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one (CID 89434293) is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is Nc1nccc(Oc2ccc(Nc3nccc4ccn(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl.
What is the InChIKey of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
The InChIKey is BFSZDJBZPXCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2N5O2/c26-22-20(8-11-30-23(22)29)35-19-6-3-16(13-18(19)28)32-24-21-14(7-10-31-24)9-12-33(25(21)34)17-4-1-15(27)2-5-17/h1-13H,(H2,29,30)(H,31,32).
What are the key properties of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one?
8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one has a molecular weight of 491.89 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 89434293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).