4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C21H21N7O2 — CID 58446918

IUPAC4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H21N7O2/c1-4-26(2)20(30)15-12-22-27(3)18(15)19(29)24-17-10-11-28-13-16(23-21(28)25-17)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,23,24,25,29)
InChIKeyUIRKZMHTWRSYJH-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.47
Rot. Bonds5

About 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 58446918) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID58446918
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H21N7O2/c1-4-26(2)20(30)15-12-22-27(3)18(15)19(29)24-17-10-11-28-13-16(23-21(28)25-17)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,23,24,25,29)
InChIKeyUIRKZMHTWRSYJH-UHFFFAOYSA-N
XLogP2.47
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide 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 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 58446918) is 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is UIRKZMHTWRSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-4-26(2)20(30)15-12-22-27(3)18(15)19(29)24-17-10-11-28-13-16(23-21(28)25-17)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,23,24,25,29).
What are the key properties of 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 58446918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).