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

C20H17F2N3O2 — CID 134810304

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-27-18-7-6-12(8-16(18)22)20-14-9-19(26)25(11-17(14)23-24-20)10-13-4-2-3-5-15(13)21/h2-8H,9-11H2,1H3,(H,23,24)
InChIKeyPAEMPLFMXQRAOH-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.45
Rot. Bonds4

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

3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810304) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810304
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)cc1F
InChIInChI=1S/C20H17F2N3O2/c1-27-18-7-6-12(8-16(18)22)20-14-9-19(26)25(11-17(14)23-24-20)10-13-4-2-3-5-15(13)21/h2-8H,9-11H2,1H3,(H,23,24)
InChIKeyPAEMPLFMXQRAOH-UHFFFAOYSA-N
XLogP3.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810304) is 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COc1ccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is PAEMPLFMXQRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-27-18-7-6-12(8-16(18)22)20-14-9-19(26)25(11-17(14)23-24-20)10-13-4-2-3-5-15(13)21/h2-8H,9-11H2,1H3,(H,23,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 369.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-6-[(2-fluorophenyl)methyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).