5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H26FN5O2 — CID 91903292

IUPAC5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12
InChIInChI=1S/C25H26FN5O2/c26-20-7-4-18(5-8-20)17-30-23-16-19(24(32)27-12-15-29-13-2-1-3-14-29)6-9-21(23)31-22(25(30)33)10-11-28-31/h4-11,16H,1-3,12-15,17H2,(H,27,32)
InChIKeyKCLIXHQXQZJNKS-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.05
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 91903292) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID91903292
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12
InChIInChI=1S/C25H26FN5O2/c26-20-7-4-18(5-8-20)17-30-23-16-19(24(32)27-12-15-29-13-2-1-3-14-29)6-9-21(23)31-22(25(30)33)10-11-28-31/h4-11,16H,1-3,12-15,17H2,(H,27,32)
InChIKeyKCLIXHQXQZJNKS-UHFFFAOYSA-N
XLogP3.05
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 91903292) is 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is O=C(NCCN1CCCCC1)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is KCLIXHQXQZJNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c26-20-7-4-18(5-8-20)17-30-23-16-19(24(32)27-12-15-29-13-2-1-3-14-29)6-9-21(23)31-22(25(30)33)10-11-28-31/h4-11,16H,1-3,12-15,17H2,(H,27,32).
What are the key properties of 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 91903292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).