5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide

C22H17F3N4O2 — CID 16820370

IUPAC5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H17F3N4O2/c1-2-28-12-17(20(30)26-15-8-6-7-14(11-15)22(23,24)25)19-18(13-28)21(31)29(27-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,26,30)
InChIKeyHUBDBFSMRXGGII-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.43
Rot. Bonds4

About 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide

5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16820370) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16820370
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H17F3N4O2/c1-2-28-12-17(20(30)26-15-8-6-7-14(11-15)22(23,24)25)19-18(13-28)21(31)29(27-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,26,30)
InChIKeyHUBDBFSMRXGGII-UHFFFAOYSA-N
XLogP4.43
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide (CID 16820370) is 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide is CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is HUBDBFSMRXGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-2-28-12-17(20(30)26-15-8-6-7-14(11-15)22(23,24)25)19-18(13-28)21(31)29(27-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,26,30).
What are the key properties of 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-oxo-2-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16820370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).