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

C27H24N6O — CID 54769997

IUPAC2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3nc(C)c(C)nc3c2)n1
InChIInChI=1S/C27H24N6O/c1-17-8-7-11-24(28-17)27-22(20-12-13-23-25(14-20)30-19(3)18(2)29-23)15-33(32-27)16-26(34)31-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,31,34)
InChIKeySTWGGWFROPAXHA-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.12
Rot. Bonds5

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

2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (PubChem CID 54769997) 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)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
PubChem CID54769997
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
SMILESCc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3nc(C)c(C)nc3c2)n1
InChIInChI=1S/C27H24N6O/c1-17-8-7-11-24(28-17)27-22(20-12-13-23-25(14-20)30-19(3)18(2)29-23)15-33(32-27)16-26(34)31-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,31,34)
InChIKeySTWGGWFROPAXHA-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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Related Compounds

N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
ML300-based SC inhibitor 22
CID 156027219
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164610927
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-methylphenyl)-4-pyridinyl]quinolin-4-amine
CID 164618451
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(2-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164621330
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(3-fluorophenyl)-4-pyridinyl]quinolin-4-amine
CID 164623515
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-(2-phenyl-4-pyridinyl)quinolin-4-amine
CID 164628562
N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)acetamide
CID 9969336
2-(dimethylamino)-N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)acetamide
CID 10179913
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
N-(3-Cyanophenyl)-2-(3-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)acetamide
CID 52920793

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide (CID 54769997) is 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is Cc1cccc(-c2nn(CC(=O)Nc3ccccc3)cc2-c2ccc3nc(C)c(C)nc3c2)n1.
What is the InChIKey of 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
The InChIKey is STWGGWFROPAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-17-8-7-11-24(28-17)27-22(20-12-13-23-25(14-20)30-19(3)18(2)29-23)15-33(32-27)16-26(34)31-21-9-5-4-6-10-21/h4-15H,16H2,1-3H3,(H,31,34).
What are the key properties of 2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide?
2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(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)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 54769997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).