4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C19H15F3N4O2 — CID 163216604

IUPAC4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(OCc3ccccc3C(F)(F)F)cn2)c2cn[nH]c2N1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-2-1-3-11(15)10-28-12-5-6-16(23-8-12)13-7-17(27)25-18-14(13)9-24-26-18/h1-6,8-9,13H,7,10H2,(H2,24,25,26,27)
InChIKeyDRZARSINLGOEFV-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.88
Rot. Bonds4

About 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 163216604) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID163216604
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(OCc3ccccc3C(F)(F)F)cn2)c2cn[nH]c2N1
InChIInChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-2-1-3-11(15)10-28-12-5-6-16(23-8-12)13-7-17(27)25-18-14(13)9-24-26-18/h1-6,8-9,13H,7,10H2,(H2,24,25,26,27)
InChIKeyDRZARSINLGOEFV-UHFFFAOYSA-N
XLogP3.88
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 163216604) is 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccc(OCc3ccccc3C(F)(F)F)cn2)c2cn[nH]c2N1.
What is the InChIKey of 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DRZARSINLGOEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-19(21,22)15-4-2-1-3-11(15)10-28-12-5-6-16(23-8-12)13-7-17(27)25-18-14(13)9-24-26-18/h1-6,8-9,13H,7,10H2,(H2,24,25,26,27).
What are the key properties of 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 388.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 163216604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).