4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide

C18H16N6O — CID 146153633

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cnccn34)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-9-13(2)24(22-12)15-5-3-14(4-6-15)18(25)21-17-11-20-16-10-19-7-8-23(16)17/h3-11H,1-2H3,(H,21,25)
InChIKeyZQDAYTSWHLSENR-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.78
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide (PubChem CID 146153633) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide
PubChem CID146153633
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cnccn34)cc2)n1
InChIInChI=1S/C18H16N6O/c1-12-9-13(2)24(22-12)15-5-3-14(4-6-15)18(25)21-17-11-20-16-10-19-7-8-23(16)17/h3-11H,1-2H3,(H,21,25)
InChIKeyZQDAYTSWHLSENR-UHFFFAOYSA-N
XLogP2.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide (CID 146153633) is 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4cnccn34)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide?
The InChIKey is ZQDAYTSWHLSENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-9-13(2)24(22-12)15-5-3-14(4-6-15)18(25)21-17-11-20-16-10-19-7-8-23(16)17/h3-11H,1-2H3,(H,21,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide has a molecular weight of 332.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide is sourced from PubChem (CID 146153633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).