2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone

C20H17ClFN3O — CID 73335231

IUPAC2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O/c21-15-5-3-14(4-6-15)12-20(26)24-11-1-2-18-19(24)13-23-25(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2
InChIKeyTVEUBSKBOLCIQP-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.19
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone

2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone (PubChem CID 73335231) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
PubChem CID73335231
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O/c21-15-5-3-14(4-6-15)12-20(26)24-11-1-2-18-19(24)13-23-25(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2
InChIKeyTVEUBSKBOLCIQP-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone (CID 73335231) is 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The InChIKey is TVEUBSKBOLCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-15-5-3-14(4-6-15)12-20(26)24-11-1-2-18-19(24)13-23-25(18)17-9-7-16(22)8-10-17/h3-10,13H,1-2,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone has a molecular weight of 369.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone is sourced from PubChem (CID 73335231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).