5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C21H17FN4O2 — CID 16820369

IUPAC5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C21H17FN4O2/c1-2-25-12-17(20(27)23-15-8-6-7-14(22)11-15)19-18(13-25)21(28)26(24-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,23,27)
InChIKeyPZKCCZLBABGVIG-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.55
Rot. Bonds4

About 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16820369) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16820369
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C21H17FN4O2/c1-2-25-12-17(20(27)23-15-8-6-7-14(22)11-15)19-18(13-25)21(28)26(24-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,23,27)
InChIKeyPZKCCZLBABGVIG-UHFFFAOYSA-N
XLogP3.55
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 16820369) is 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is CCn1cc(C(=O)Nc2cccc(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is PZKCCZLBABGVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-2-25-12-17(20(27)23-15-8-6-7-14(22)11-15)19-18(13-25)21(28)26(24-19)16-9-4-3-5-10-16/h3-13H,2H2,1H3,(H,23,27).
What are the key properties of 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-fluorophenyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16820369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).