6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C16H16F3N3O2 — CID 134806846

IUPAC6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2CC1=O
InChIInChI=1S/C16H16F3N3O2/c1-24-6-5-22-9-13-12(8-14(22)23)15(21-20-13)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyCLSDBSANYLXLGI-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.63
Rot. Bonds4

About 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134806846) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134806846
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2CC1=O
InChIInChI=1S/C16H16F3N3O2/c1-24-6-5-22-9-13-12(8-14(22)23)15(21-20-13)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyCLSDBSANYLXLGI-UHFFFAOYSA-N
XLogP2.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134806846) is 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCCN1Cc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2CC1=O.
What is the InChIKey of 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is CLSDBSANYLXLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-6-5-22-9-13-12(8-14(22)23)15(21-20-13)10-3-2-4-11(7-10)16(17,18)19/h2-4,7H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 339.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134806846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).