6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one

C30H23F2N3O4 — CID 167587536

IUPAC6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
SMILESCOc1ccc2nccc(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3F)c2n1
InChIInChI=1S/C30H23F2N3O4/c1-16-12-19(31)5-6-20(16)27-17(2)15-34-29(30(27)37)23(36)14-18-4-8-24(21(32)13-18)39-25-10-11-33-22-7-9-26(38-3)35-28(22)25/h4-13H,14-15H2,1-3H3
InChIKeyHZMTWBAXKRPXOQ-UHFFFAOYSA-N
MW527.53 g/mol
LogP5.63
Rot. Bonds7

About 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one

6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one (PubChem CID 167587536) has the molecular formula C30H23F2N3O4 and a molecular weight of 527.53 g/mol. Its IUPAC name is 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one.

Molecular Properties

Compound Name6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
PubChem CID167587536
Molecular FormulaC30H23F2N3O4
Molecular Weight527.53 g/mol
Exact Mass527.17
IUPAC Name6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one
SMILESCOc1ccc2nccc(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3F)c2n1
InChIInChI=1S/C30H23F2N3O4/c1-16-12-19(31)5-6-20(16)27-17(2)15-34-29(30(27)37)23(36)14-18-4-8-24(21(32)13-18)39-25-10-11-33-22-7-9-26(38-3)35-28(22)25/h4-13H,14-15H2,1-3H3
InChIKeyHZMTWBAXKRPXOQ-UHFFFAOYSA-N
XLogP5.63
TPSA90.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one?
The IUPAC name of 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one (CID 167587536) is 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one.
What is the SMILES notation for 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one?
The canonical SMILES for 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one is COc1ccc2nccc(Oc3ccc(CC(=O)C4=NCC(C)=C(c5ccc(F)cc5C)C4=O)cc3F)c2n1.
What is the InChIKey of 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one?
The InChIKey is HZMTWBAXKRPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O4/c1-16-12-19(31)5-6-20(16)27-17(2)15-34-29(30(27)37)23(36)14-18-4-8-24(21(32)13-18)39-25-10-11-33-22-7-9-26(38-3)35-28(22)25/h4-13H,14-15H2,1-3H3.
What are the key properties of 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one?
6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one has a molecular weight of 527.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-fluoro-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-4-(4-fluoro-2-methylphenyl)-3-methyl-2H-pyridin-5-one is sourced from PubChem (CID 167587536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).