2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

C27H24N6O — CID 54770207

IUPAC2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3ccc4nc(C)c(C)nc4c3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C27H24N6O/c1-17-8-7-11-24(29-17)27-22(20-12-13-23-25(14-20)31-19(3)18(2)30-23)15-28-33(27)16-26(34)32-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,32,34)
InChIKeyIJIXVMSMOISVCY-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.12
Rot. Bonds5

About 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide

2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 54770207) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID54770207
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2c(-c3ccc4nc(C)c(C)nc4c3)cnn2CC(=O)Nc2ccccc2)n1
InChIInChI=1S/C27H24N6O/c1-17-8-7-11-24(29-17)27-22(20-12-13-23-25(14-20)31-19(3)18(2)30-23)15-28-33(27)16-26(34)32-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,32,34)
InChIKeyIJIXVMSMOISVCY-UHFFFAOYSA-N
XLogP5.12
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (CID 54770207) is 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2c(-c3ccc4nc(C)c(C)nc4c3)cnn2CC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is IJIXVMSMOISVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-17-8-7-11-24(29-17)27-22(20-12-13-23-25(14-20)31-19(3)18(2)30-23)15-28-33(27)16-26(34)32-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,32,34).
What are the key properties of 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide has a molecular weight of 448.53 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54770207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).