2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

C21H11F3N4OS — CID 71112670

IUPAC2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESO=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11F3N4OS/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28/h1-11H
InChIKeyKCJYVFFVGYOKAL-UHFFFAOYSA-N
MW424.41 g/mol
LogP5.08
Rot. Bonds2

About 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71112670) has the molecular formula C21H11F3N4OS and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71112670
Molecular FormulaC21H11F3N4OS
Molecular Weight424.41 g/mol
Exact Mass424.06
IUPAC Name2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESO=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11F3N4OS/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28/h1-11H
InChIKeyKCJYVFFVGYOKAL-UHFFFAOYSA-N
XLogP5.08
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.41
LogP ≤ 55.08
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-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71112670) is 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is O=c1ccc2cnc3ccc(-c4cncs4)nc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is KCJYVFFVGYOKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F3N4OS/c22-21(23,24)13-2-1-3-14(8-13)28-18(29)7-4-12-9-26-16-6-5-15(17-10-25-11-30-17)27-19(16)20(12)28/h1-11H.
What are the key properties of 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 424.41 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71112670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).