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

C23H19F3N6O2 — CID 156825502

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESC[C@@H](c1ccccc1OC(F)(F)F)N1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C23H19F3N6O2/c1-13(16-4-2-3-5-19(16)34-23(24,25)26)31-8-7-18-17(21(31)33)10-15(12-28-18)14-6-9-32-20(11-14)29-22(27)30-32/h2-6,9-13H,7-8H2,1H3,(H2,27,30)/t13-/m0/s1
InChIKeyHKCWMCCTBAQKMF-ZDUSSCGKSA-N
MW468.44 g/mol
LogP4.03
Rot. Bonds4

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 156825502) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)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-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID156825502
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESC[C@@H](c1ccccc1OC(F)(F)F)N1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C23H19F3N6O2/c1-13(16-4-2-3-5-19(16)34-23(24,25)26)31-8-7-18-17(21(31)33)10-15(12-28-18)14-6-9-32-20(11-14)29-22(27)30-32/h2-6,9-13H,7-8H2,1H3,(H2,27,30)/t13-/m0/s1
InChIKeyHKCWMCCTBAQKMF-ZDUSSCGKSA-N
XLogP4.03
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)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-[(1S)-1-[2-(trifluoromethoxy)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-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 156825502) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)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-[(1S)-1-[2-(trifluoromethoxy)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-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is C[C@@H](c1ccccc1OC(F)(F)F)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-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is HKCWMCCTBAQKMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13(16-4-2-3-5-19(16)34-23(24,25)26)31-8-7-18-17(21(31)33)10-15(12-28-18)14-6-9-32-20(11-14)29-22(27)30-32/h2-6,9-13H,7-8H2,1H3,(H2,27,30)/t13-/m0/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 468.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 156825502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).