2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one

C24H17F3N4O2 — CID 90097261

IUPAC2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCOc1cncc(C2=CC=C3NC=c4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4=C3N2)c1
InChIInChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,29-30H,1H3
InChIKeyMCTHWJUHWSFLTM-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one

2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 90097261) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID90097261
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCOc1cncc(C2=CC=C3NC=c4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4=C3N2)c1
InChIInChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,29-30H,1H3
InChIKeyMCTHWJUHWSFLTM-UHFFFAOYSA-N
XLogP2.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one (CID 90097261) is 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one is COc1cncc(C2=CC=C3NC=c4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4=C3N2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is MCTHWJUHWSFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c1-33-18-9-15(11-28-13-18)19-6-7-20-22(30-19)23-14(12-29-20)5-8-21(32)31(23)17-4-2-3-16(10-17)24(25,26)27/h2-13,29-30H,1H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one?
2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 450.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 90097261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).