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

C24H15F3N4O3S — CID 71479360

IUPAC2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N4O3S/c1-35(33,34)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
InChIKeyOMWMWUCHTNDTCA-UHFFFAOYSA-N
MW496.47 g/mol
LogP4.42
Rot. Bonds3

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

2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71479360) has the molecular formula C24H15F3N4O3S and a molecular weight of 496.47 g/mol. Its IUPAC name is 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71479360
Molecular FormulaC24H15F3N4O3S
Molecular Weight496.47 g/mol
Exact Mass496.08
IUPAC Name2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCS(=O)(=O)c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H15F3N4O3S/c1-35(33,34)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
InChIKeyOMWMWUCHTNDTCA-UHFFFAOYSA-N
XLogP4.42
TPSA94.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71479360) is 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is CS(=O)(=O)c1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is OMWMWUCHTNDTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O3S/c1-35(33,34)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-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 496.47 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylsulfonyl-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71479360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).