3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide

C26H22N6O — CID 54770427

IUPAC3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H22N6O/c1-18-6-5-9-23(29-18)26-21(19-10-11-22-24(16-19)28-14-13-27-22)17-32(31-26)15-12-25(33)30-20-7-3-2-4-8-20/h2-11,13-14,16-17H,12,15H2,1H3,(H,30,33)
InChIKeyXZIUCFXXNUZGBF-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.89
Rot. Bonds6

About 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide

3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide (PubChem CID 54770427) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide
PubChem CID54770427
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC Name3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide
SMILESCc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H22N6O/c1-18-6-5-9-23(29-18)26-21(19-10-11-22-24(16-19)28-14-13-27-22)17-32(31-26)15-12-25(33)30-20-7-3-2-4-8-20/h2-11,13-14,16-17H,12,15H2,1H3,(H,30,33)
InChIKeyXZIUCFXXNUZGBF-UHFFFAOYSA-N
XLogP4.89
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide (CID 54770427) is 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide is Cc1cccc(-c2nn(CCC(=O)Nc3ccccc3)cc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
The InChIKey is XZIUCFXXNUZGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-18-6-5-9-23(29-18)26-21(19-10-11-22-24(16-19)28-14-13-27-22)17-32(31-26)15-12-25(33)30-20-7-3-2-4-8-20/h2-11,13-14,16-17H,12,15H2,1H3,(H,30,33).
What are the key properties of 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide?
3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide has a molecular weight of 434.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 54770427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).