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

C22H18N8O3 — CID 67383649

IUPAC4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccon1)C(=O)c1cn[nH]c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H18N8O3/c1-29(12-15-8-10-33-28-15)21(32)16-11-23-27-19(16)20(31)25-18-7-9-30-13-17(24-22(30)26-18)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26,31)
InChIKeyFNUQVSIYRJDCRG-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.63
Rot. Bonds6

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

4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide (PubChem CID 67383649) has the molecular formula C22H18N8O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide
PubChem CID67383649
Molecular FormulaC22H18N8O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccon1)C(=O)c1cn[nH]c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H18N8O3/c1-29(12-15-8-10-33-28-15)21(32)16-11-23-27-19(16)20(31)25-18-7-9-30-13-17(24-22(30)26-18)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26,31)
InChIKeyFNUQVSIYRJDCRG-UHFFFAOYSA-N
XLogP2.63
TPSA134.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide (CID 67383649) is 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide is CN(Cc1ccon1)C(=O)c1cn[nH]c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
The InChIKey is FNUQVSIYRJDCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O3/c1-29(12-15-8-10-33-28-15)21(32)16-11-23-27-19(16)20(31)25-18-7-9-30-13-17(24-22(30)26-18)14-5-3-2-4-6-14/h2-11,13H,12H2,1H3,(H,23,27)(H,24,25,26,31).
What are the key properties of 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide?
4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide has a molecular weight of 442.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-1H-pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67383649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).