9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H14F3N5O2S — CID 73438264

IUPAC9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCSc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H14F3N5O2S/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H,30,32,33)
InChIKeyPGJPYEFCHLUYBZ-UHFFFAOYSA-N
MW481.46 g/mol
LogP4.42
Rot. Bonds3

About 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438264) has the molecular formula C23H14F3N5O2S and a molecular weight of 481.46 g/mol. Its IUPAC name is 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438264
Molecular FormulaC23H14F3N5O2S
Molecular Weight481.46 g/mol
Exact Mass481.08
IUPAC Name9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCSc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C23H14F3N5O2S/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H,30,32,33)
InChIKeyPGJPYEFCHLUYBZ-UHFFFAOYSA-N
XLogP4.42
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-9-(6-methylsulfanylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 89589903
[4-(3-Methylsulfanylpyrazin-2-yl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 20392925
2-(6-(methylthio)pyri din-3-yl)-10-(3-(trifluoromethyl)phenyl)pyrido[3,2-c][1,5]naphthyridin-9(10H)-one
CID 71112975
2-(6-Methylsulfanylpyridin-3-yl)-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112983
9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)pyrimidino[5,4-c][1,5]naphthyridine-2,4(1H,3H)-dione
CID 73332620
9-(6-Methylpyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73437951
9-(6-Aminopyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73437953
9-(6-Aminopyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73437954
9-(6-Methylsulfonylpyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438007
5-[2,4-Dioxo-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile
CID 73438008
N-[5-[2,4-dioxo-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridin-2-yl]acetamide
CID 73438009
9-(6-Methylsulfanylpyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438010

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438264) is 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is CSc1ccc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is PGJPYEFCHLUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O2S/c1-34-18-8-5-12(10-28-18)16-6-7-17-19(29-16)20-15(11-27-17)21(32)30-22(33)31(20)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H,30,32,33).
What are the key properties of 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 481.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).