methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate

C22H16N6O3 — CID 139508749

IUPACmethyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cn3c(N)nc(-c4ccccc4)c(-c4ccncc4)c3n2)on1
InChIInChI=1S/C22H16N6O3/c1-30-21(29)15-11-17(31-27-15)16-12-28-20(25-16)18(13-7-9-24-10-8-13)19(26-22(28)23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,26)
InChIKeyFWGGFOAIYLYSHG-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.48
Rot. Bonds4

About methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate

methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate (PubChem CID 139508749) has the molecular formula C22H16N6O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate
PubChem CID139508749
Molecular FormulaC22H16N6O3
Molecular Weight412.41 g/mol
Exact Mass412.13
IUPAC Namemethyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2cn3c(N)nc(-c4ccccc4)c(-c4ccncc4)c3n2)on1
InChIInChI=1S/C22H16N6O3/c1-30-21(29)15-11-17(31-27-15)16-12-28-20(25-16)18(13-7-9-24-10-8-13)19(26-22(28)23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,26)
InChIKeyFWGGFOAIYLYSHG-UHFFFAOYSA-N
XLogP3.48
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate (CID 139508749) is methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2cn3c(N)nc(-c4ccccc4)c(-c4ccncc4)c3n2)on1.
What is the InChIKey of methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is FWGGFOAIYLYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O3/c1-30-21(29)15-11-17(31-27-15)16-12-28-20(25-16)18(13-7-9-24-10-8-13)19(26-22(28)23)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,26).
What are the key properties of methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate?
methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 412.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-amino-7-phenyl-8-pyridin-4-ylimidazo[1,2-c]pyrimidin-2-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 139508749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).