1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C22H22FN3O2 — CID 10619709

IUPAC1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C22H22FN3O2/c1-3-4-20-19-13-14-25(16-9-11-18(28-2)12-10-16)22(27)21(19)26(24-20)17-7-5-15(23)6-8-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyVWYGUXJEUBOAHI-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10619709) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10619709
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(OC)cc1)C2=O
InChIInChI=1S/C22H22FN3O2/c1-3-4-20-19-13-14-25(16-9-11-18(28-2)12-10-16)22(27)21(19)26(24-20)17-7-5-15(23)6-8-17/h5-12H,3-4,13-14H2,1-2H3
InChIKeyVWYGUXJEUBOAHI-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10619709) is 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(OC)cc1)C2=O.
What is the InChIKey of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is VWYGUXJEUBOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-3-4-20-19-13-14-25(16-9-11-18(28-2)12-10-16)22(27)21(19)26(24-20)17-7-5-15(23)6-8-17/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 379.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10619709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).