3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

C23H18F4N6O — CID 156825541

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(c1cc(C(F)(F)F)ccc1F)N1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C23H18F4N6O/c1-12(16-10-15(23(25,26)27)2-3-18(16)24)32-6-5-19-17(21(32)34)8-14(11-29-19)13-4-7-33-20(9-13)30-22(28)31-33/h2-4,7-12H,5-6H2,1H3,(H2,28,31)
InChIKeyGFWYHQLKLCEIBV-UHFFFAOYSA-N
MW470.43 g/mol
LogP4.29
Rot. Bonds3

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 156825541) has the molecular formula C23H18F4N6O and a molecular weight of 470.43 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID156825541
Molecular FormulaC23H18F4N6O
Molecular Weight470.43 g/mol
Exact Mass470.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCC(c1cc(C(F)(F)F)ccc1F)N1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C23H18F4N6O/c1-12(16-10-15(23(25,26)27)2-3-18(16)24)32-6-5-19-17(21(32)34)8-14(11-29-19)13-4-7-33-20(9-13)30-22(28)31-33/h2-4,7-12H,5-6H2,1H3,(H2,28,31)
InChIKeyGFWYHQLKLCEIBV-UHFFFAOYSA-N
XLogP4.29
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 156825541) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is CC(c1cc(C(F)(F)F)ccc1F)N1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is GFWYHQLKLCEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O/c1-12(16-10-15(23(25,26)27)2-3-18(16)24)32-6-5-19-17(21(32)34)8-14(11-29-19)13-4-7-33-20(9-13)30-22(28)31-33/h2-4,7-12H,5-6H2,1H3,(H2,28,31).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 470.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 156825541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).