5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide

C20H17ClN6O2 — CID 58446957

IUPAC5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C20H17ClN6O2/c1-22-19(29)15-10-23-26(2)18(15)17(28)9-14-6-7-27-11-16(25-20(27)24-14)12-4-3-5-13(21)8-12/h3-8,10-11H,9H2,1-2H3,(H,22,29)
InChIKeyAJXAKBOBIHJQPE-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.57
Rot. Bonds5

About 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide

5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 58446957) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID58446957
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C20H17ClN6O2/c1-22-19(29)15-10-23-26(2)18(15)17(28)9-14-6-7-27-11-16(25-20(27)24-14)12-4-3-5-13(21)8-12/h3-8,10-11H,9H2,1-2H3,(H,22,29)
InChIKeyAJXAKBOBIHJQPE-UHFFFAOYSA-N
XLogP2.57
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide (CID 58446957) is 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide is CNC(=O)c1cnn(C)c1C(=O)Cc1ccn2cc(-c3cccc(Cl)c3)nc2n1.
What is the InChIKey of 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is AJXAKBOBIHJQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-22-19(29)15-10-23-26(2)18(15)17(28)9-14-6-7-27-11-16(25-20(27)24-14)12-4-3-5-13(21)8-12/h3-8,10-11H,9H2,1-2H3,(H,22,29).
What are the key properties of 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide?
5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-chlorophenyl)imidazo[1,2-a]pyrimidin-7-yl]acetyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58446957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).