7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one

C20H17F3N4O3 — CID 155466560

IUPAC7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3n[nH]nc32)ccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N4O3/c1-29-16-8-11(13-9-17(28)24-19-18(13)25-27-26-19)6-7-15(16)30-10-12-4-2-3-5-14(12)20(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyMZEAZJQJXOKAAG-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.89
Rot. Bonds5

About 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one

7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one (PubChem CID 155466560) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one
PubChem CID155466560
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3n[nH]nc32)ccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F3N4O3/c1-29-16-8-11(13-9-17(28)24-19-18(13)25-27-26-19)6-7-15(16)30-10-12-4-2-3-5-14(12)20(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,26,27,28)
InChIKeyMZEAZJQJXOKAAG-UHFFFAOYSA-N
XLogP3.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-chloro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 158540547
4-[3-methoxy-4-[[4-methoxy-2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216618
(7S)-2-amino-7-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42587835
4-[3-fluoro-5-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216576
(5S)-5-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135577649
4-[4-[[4-acetyl-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216679
4-[[2-methoxy-4-(6-oxo-2,4,5,7-tetrahydropyrrolo[2,3-b]pyridin-4-yl)phenoxy]methyl]-3-(trifluoromethyl)benzaldehyde
CID 167666125
7-[4-[[4-(2-hydroxyethyl)-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,6,7-tetrahydropyrazolo[4,5-b]pyridin-5-one
CID 163216624
4-[4-[[2,4-bis(trifluoromethyl)phenoxy]methyl]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216649
(5R)-5-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135860355
4-[4-[[4-(2-hydroxy-2-methylpropyl)-2-(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216572
2-[4-[[2-methoxy-4-(6-oxo-2,4,5,7-tetrahydropyrrolo[2,3-b]pyridin-4-yl)phenoxy]methyl]-3-(trifluoromethyl)phenyl]acetonitrile
CID 167638180

Frequently Asked Questions

What is the IUPAC name of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one?
The IUPAC name of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one (CID 155466560) is 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one is COc1cc(C2CC(=O)Nc3n[nH]nc32)ccc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one?
The InChIKey is MZEAZJQJXOKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c1-29-16-8-11(13-9-17(28)24-19-18(13)25-27-26-19)6-7-15(16)30-10-12-4-2-3-5-14(12)20(21,22)23/h2-8,13H,9-10H2,1H3,(H2,24,25,26,27,28).
What are the key properties of 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one?
7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one has a molecular weight of 418.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2,4,6,7-tetrahydrotriazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 155466560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).