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

C26H18ClF2N5O2 — CID 71510447

IUPAC8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C26H18ClF2N5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(28)3-6-18)33-17-4-7-20(19(29)13-17)36-21-9-11-31-24(30)23(21)27/h2-13H,1H3,(H2,30,31)(H,32,33)
InChIKeyOWJRWSURUBTCKB-UHFFFAOYSA-N
MW505.91 g/mol
LogP6.14
Rot. Bonds5

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

8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (PubChem CID 71510447) has the molecular formula C26H18ClF2N5O2 and a molecular weight of 505.91 g/mol. Its IUPAC name is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
PubChem CID71510447
Molecular FormulaC26H18ClF2N5O2
Molecular Weight505.91 g/mol
Exact Mass505.11
IUPAC Name8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C26H18ClF2N5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(28)3-6-18)33-17-4-7-20(19(29)13-17)36-21-9-11-31-24(30)23(21)27/h2-13H,1H3,(H2,30,31)(H,32,33)
InChIKeyOWJRWSURUBTCKB-UHFFFAOYSA-N
XLogP6.14
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.91
LogP ≤ 56.14
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]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (CID 71510447) is 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-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)-3-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one is Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
The InChIKey is OWJRWSURUBTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(28)3-6-18)33-17-4-7-20(19(29)13-17)36-21-9-11-31-24(30)23(21)27/h2-13H,1H3,(H2,30,31)(H,32,33).
What are the key properties of 8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?
8-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one has a molecular weight of 505.91 g/mol, XLogP of 6.14, 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)-3-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 71510447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).