2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide

C25H20N6O — CID 54770206

IUPAC2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C25H20N6O/c1-17-6-5-9-22(29-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-28-31(25)16-24(32)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyFMNCAAZRBDHAIG-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.50
Rot. Bonds5

About 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide

2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide (PubChem CID 54770206) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
PubChem CID54770206
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C25H20N6O/c1-17-6-5-9-22(29-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-28-31(25)16-24(32)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,30,32)
InChIKeyFMNCAAZRBDHAIG-UHFFFAOYSA-N
XLogP4.50
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide (CID 54770206) is 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2c(-c3ccc4nccnc4c3)cnn2CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide?
The InChIKey is FMNCAAZRBDHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-17-6-5-9-22(29-17)25-20(18-10-11-21-23(14-18)27-13-12-26-21)15-28-31(25)16-24(32)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,30,32).
What are the key properties of 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide?
2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide has a molecular weight of 420.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54770206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).