1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C21H21FN4O — CID 57406641

IUPAC1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c22-17-8-10-18(11-9-17)26-19-7-4-14-25(20(19)15-24-26)21(27)23-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,23,27)
InChIKeyMVBAXEWTJSUPLZ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57406641) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57406641
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O/c22-17-8-10-18(11-9-17)26-19-7-4-14-25(20(19)15-24-26)21(27)23-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,23,27)
InChIKeyMVBAXEWTJSUPLZ-UHFFFAOYSA-N
XLogP3.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57406641) is 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is O=C(NCCc1ccccc1)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is MVBAXEWTJSUPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-8-10-18(11-9-17)26-19-7-4-14-25(20(19)15-24-26)21(27)23-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,4,7,12-14H2,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57406641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).