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

C20H18FN3O2 — CID 10784110

IUPAC1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(N2CCc3c(C)nn(-c4ccc(F)cc4)c3C2=O)cc1
InChIInChI=1S/C20H18FN3O2/c1-13-18-11-12-23(15-7-9-17(26-2)10-8-15)20(25)19(18)24(22-13)16-5-3-14(21)4-6-16/h3-10H,11-12H2,1-2H3
InChIKeyJJHDQYPELKHLCQ-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.53
Rot. Bonds3

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

1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10784110) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10784110
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(N2CCc3c(C)nn(-c4ccc(F)cc4)c3C2=O)cc1
InChIInChI=1S/C20H18FN3O2/c1-13-18-11-12-23(15-7-9-17(26-2)10-8-15)20(25)19(18)24(22-13)16-5-3-14(21)4-6-16/h3-10H,11-12H2,1-2H3
InChIKeyJJHDQYPELKHLCQ-UHFFFAOYSA-N
XLogP3.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.53
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-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10784110) is 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(N2CCc3c(C)nn(-c4ccc(F)cc4)c3C2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is JJHDQYPELKHLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-18-11-12-23(15-7-9-17(26-2)10-8-15)20(25)19(18)24(22-13)16-5-3-14(21)4-6-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 351.38 g/mol, XLogP of 3.53, 3 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-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).