2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

C24H15F3N4OS — CID 71112975

IUPAC2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N4OS/c1-33-20-9-5-14(12-29-20)18-7-8-19-22(30-18)23-15(13-28-19)6-10-21(32)31(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3
InChIKeyIIYBJQJBTAHQNQ-UHFFFAOYSA-N
MW464.47 g/mol
LogP5.74
Rot. Bonds3

About 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71112975) has the molecular formula C24H15F3N4OS and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71112975
Molecular FormulaC24H15F3N4OS
Molecular Weight464.47 g/mol
Exact Mass464.09
IUPAC Name2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N4OS/c1-33-20-9-5-14(12-29-20)18-7-8-19-22(30-18)23-15(13-28-19)6-10-21(32)31(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3
InChIKeyIIYBJQJBTAHQNQ-UHFFFAOYSA-N
XLogP5.74
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71112975) is 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is CSc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is IIYBJQJBTAHQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4OS/c1-33-20-9-5-14(12-29-20)18-7-8-19-22(30-18)23-15(13-28-19)6-10-21(32)31(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3.
What are the key properties of 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 464.47 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfanyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71112975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).