5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine

C23H22N8 — CID 118525747

IUPAC5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3nc4nc(-c5ccccc5)cn4cc3N3CCCC3)nc12
InChIInChI=1S/C23H22N8/c1-15-12-24-16(2)22-27-21(28-31(15)22)20-19(29-10-6-7-11-29)14-30-13-18(25-23(30)26-20)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyROQYSSJKWZQFRS-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.72
Rot. Bonds3

About 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525747) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525747
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(-c3nc4nc(-c5ccccc5)cn4cc3N3CCCC3)nc12
InChIInChI=1S/C23H22N8/c1-15-12-24-16(2)22-27-21(28-31(15)22)20-19(29-10-6-7-11-29)14-30-13-18(25-23(30)26-20)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyROQYSSJKWZQFRS-UHFFFAOYSA-N
XLogP3.72
TPSA76.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525747) is 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(-c3nc4nc(-c5ccccc5)cn4cc3N3CCCC3)nc12.
What is the InChIKey of 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is ROQYSSJKWZQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-15-12-24-16(2)22-27-21(28-31(15)22)20-19(29-10-6-7-11-29)14-30-13-18(25-23(30)26-20)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3.
What are the key properties of 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 410.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-(2-phenyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).