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

C22H18N8O3 — CID 177381596

IUPAC5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide
SMILESCc1c(C(=O)NCc2cocn2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H18N8O3/c1-14-17(20(31)23-9-16-12-33-13-24-16)10-25-30(14)22(32)28-19-7-8-29-11-18(26-21(29)27-19)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3,(H,23,31)(H,26,27,28,32)
InChIKeyXIWZMOGGEYEPFB-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.90
Rot. Bonds5

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

5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide (PubChem CID 177381596) has the molecular formula C22H18N8O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide.

Molecular Properties

Compound Name5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide
PubChem CID177381596
Molecular FormulaC22H18N8O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide
SMILESCc1c(C(=O)NCc2cocn2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C22H18N8O3/c1-14-17(20(31)23-9-16-12-33-13-24-16)10-25-30(14)22(32)28-19-7-8-29-11-18(26-21(29)27-19)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3,(H,23,31)(H,26,27,28,32)
InChIKeyXIWZMOGGEYEPFB-UHFFFAOYSA-N
XLogP2.90
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide?
The IUPAC name of 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide (CID 177381596) is 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide.
What is the SMILES notation for 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide?
The canonical SMILES for 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide is Cc1c(C(=O)NCc2cocn2)cnn1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide?
The InChIKey is XIWZMOGGEYEPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O3/c1-14-17(20(31)23-9-16-12-33-13-24-16)10-25-30(14)22(32)28-19-7-8-29-11-18(26-21(29)27-19)15-5-3-2-4-6-15/h2-8,10-13H,9H2,1H3,(H,23,31)(H,26,27,28,32).
What are the key properties of 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide?
5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide has a molecular weight of 442.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(1,3-oxazol-4-ylmethyl)-1-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-1,4-dicarboxamide is sourced from PubChem (CID 177381596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).