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

C16H18FN3O3 — CID 134810171

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3ccc(OC)c(F)c3)c2CC1=O
InChIInChI=1S/C16H18FN3O3/c1-22-6-5-20-9-13-11(8-15(20)21)16(19-18-13)10-3-4-14(23-2)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyUMFGYPTYVSORED-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.76
Rot. Bonds5

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

3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810171) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810171
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3ccc(OC)c(F)c3)c2CC1=O
InChIInChI=1S/C16H18FN3O3/c1-22-6-5-20-9-13-11(8-15(20)21)16(19-18-13)10-3-4-14(23-2)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyUMFGYPTYVSORED-UHFFFAOYSA-N
XLogP1.76
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810171) is 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCCN1Cc2[nH]nc(-c3ccc(OC)c(F)c3)c2CC1=O.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is UMFGYPTYVSORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-22-6-5-20-9-13-11(8-15(20)21)16(19-18-13)10-3-4-14(23-2)12(17)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 319.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).