1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C23H20N8O3 — CID 67388111

IUPAC1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)on1
InChIInChI=1S/C23H20N8O3/c1-14-10-16(34-29-14)11-24-21(32)17-12-25-30(2)20(17)22(33)27-19-8-9-31-13-18(26-23(31)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,32)(H,26,27,28,33)
InChIKeyYHCXKTXNFZLCOE-UHFFFAOYSA-N
MW456.47 g/mol
LogP2.61
Rot. Bonds6

About 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 67388111) has the molecular formula C23H20N8O3 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID67388111
Molecular FormulaC23H20N8O3
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC Name1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)on1
InChIInChI=1S/C23H20N8O3/c1-14-10-16(34-29-14)11-24-21(32)17-12-25-30(2)20(17)22(33)27-19-8-9-31-13-18(26-23(31)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,32)(H,26,27,28,33)
InChIKeyYHCXKTXNFZLCOE-UHFFFAOYSA-N
XLogP2.61
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-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 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 67388111) is 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cc1cc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)on1.
What is the InChIKey of 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is YHCXKTXNFZLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O3/c1-14-10-16(34-29-14)11-24-21(32)17-12-25-30(2)20(17)22(33)27-19-8-9-31-13-18(26-23(31)28-19)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,32)(H,26,27,28,33).
What are the key properties of 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 456.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67388111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).