5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one

C25H16ClF2N5O2 — CID 71622198

IUPAC5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
SMILESNc1nccc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
InChIInChI=1S/C25H16ClF2N5O2/c26-22-20(8-10-30-24(22)29)35-19-6-5-15(11-17(19)28)33-25-21-18(7-9-31-25)32-12-16(23(21)34)13-1-3-14(27)4-2-13/h1-12H,(H2,29,30)(H,31,33)(H,32,34)
InChIKeyVFFLZADJYBSNMH-UHFFFAOYSA-N
MW491.89 g/mol
LogP6.03
Rot. Bonds5

About 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one

5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 71622198) has the molecular formula C25H16ClF2N5O2 and a molecular weight of 491.89 g/mol. Its IUPAC name is 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
PubChem CID71622198
Molecular FormulaC25H16ClF2N5O2
Molecular Weight491.89 g/mol
Exact Mass491.10
IUPAC Name5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
SMILESNc1nccc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl
InChIInChI=1S/C25H16ClF2N5O2/c26-22-20(8-10-30-24(22)29)35-19-6-5-15(11-17(19)28)33-25-21-18(7-9-31-25)32-12-16(23(21)34)13-1-3-14(27)4-2-13/h1-12H,(H2,29,30)(H,31,33)(H,32,34)
InChIKeyVFFLZADJYBSNMH-UHFFFAOYSA-N
XLogP6.03
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one (CID 71622198) is 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is Nc1nccc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)c1Cl.
What is the InChIKey of 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is VFFLZADJYBSNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2N5O2/c26-22-20(8-10-30-24(22)29)35-19-6-5-15(11-17(19)28)33-25-21-18(7-9-31-25)32-12-16(23(21)34)13-1-3-14(27)4-2-13/h1-12H,(H2,29,30)(H,31,33)(H,32,34).
What are the key properties of 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one?
5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 491.89 g/mol, XLogP of 6.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 71622198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).