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

C21H20FN3O3 — CID 134807169

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)cc1F
InChIInChI=1S/C21H20FN3O3/c1-27-19-8-7-14(11-17(19)22)21-16-12-20(26)25(13-18(16)23-24-21)9-10-28-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyCOPACUMBBLXQQQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.19
Rot. Bonds6

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

3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134807169) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134807169
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)cc1F
InChIInChI=1S/C21H20FN3O3/c1-27-19-8-7-14(11-17(19)22)21-16-12-20(26)25(13-18(16)23-24-21)9-10-28-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24)
InChIKeyCOPACUMBBLXQQQ-UHFFFAOYSA-N
XLogP3.19
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.19
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-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134807169) is 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(-c2n[nH]c3c2CC(=O)N(CCOc2ccccc2)C3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is COPACUMBBLXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-19-8-7-14(11-17(19)22)21-16-12-20(26)25(13-18(16)23-24-21)9-10-28-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 381.41 g/mol, XLogP of 3.19, 6 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-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134807169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).