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

C26H19ClFN5O2 — CID 155513155

IUPAC8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H19ClFN5O2/c1-15-13-16-9-11-31-25(22(16)26(34)33(15)18-5-3-2-4-6-18)32-17-7-8-20(19(28)14-17)35-21-10-12-30-24(29)23(21)27/h2-14H,1H3,(H2,29,30)(H,31,32)
InChIKeyMDUIZYSXKRMPCO-UHFFFAOYSA-N
MW487.92 g/mol
LogP6.00
Rot. Bonds5

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

8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one (PubChem CID 155513155) has the molecular formula C26H19ClFN5O2 and a molecular weight of 487.92 g/mol. Its IUPAC name is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one
PubChem CID155513155
Molecular FormulaC26H19ClFN5O2
Molecular Weight487.92 g/mol
Exact Mass487.12
IUPAC Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H19ClFN5O2/c1-15-13-16-9-11-31-25(22(16)26(34)33(15)18-5-3-2-4-6-18)32-17-7-8-20(19(28)14-17)35-21-10-12-30-24(29)23(21)27/h2-14H,1H3,(H2,29,30)(H,31,32)
InChIKeyMDUIZYSXKRMPCO-UHFFFAOYSA-N
XLogP6.00
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.92
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one (CID 155513155) is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one is Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one?
The InChIKey is MDUIZYSXKRMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O2/c1-15-13-16-9-11-31-25(22(16)26(34)33(15)18-5-3-2-4-6-18)32-17-7-8-20(19(28)14-17)35-21-10-12-30-24(29)23(21)27/h2-14H,1H3,(H2,29,30)(H,31,32).
What are the key properties of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one?
8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-3-methyl-2-phenyl-2,7-naphthyridin-1-one has a molecular weight of 487.92 g/mol, XLogP of 6.00, 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]-3-methyl-2-phenyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 155513155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).