2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C20H17N7O — CID 118525854

IUPAC2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1cn2ccc(-c3nc4c(C)ncc(C)n4n3)nc2n1
InChIInChI=1S/C20H17N7O/c1-12-10-21-13(2)19-24-18(25-27(12)19)15-8-9-26-11-16(23-20(26)22-15)14-6-4-5-7-17(14)28-3/h4-11H,1-3H3
InChIKeyBZIDWORUFFLNGU-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.13
Rot. Bonds3

About 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 118525854) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID118525854
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ccccc1-c1cn2ccc(-c3nc4c(C)ncc(C)n4n3)nc2n1
InChIInChI=1S/C20H17N7O/c1-12-10-21-13(2)19-24-18(25-27(12)19)15-8-9-26-11-16(23-20(26)22-15)14-6-4-5-7-17(14)28-3/h4-11H,1-3H3
InChIKeyBZIDWORUFFLNGU-UHFFFAOYSA-N
XLogP3.13
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 118525854) is 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1ccccc1-c1cn2ccc(-c3nc4c(C)ncc(C)n4n3)nc2n1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is BZIDWORUFFLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-12-10-21-13(2)19-24-18(25-27(12)19)15-8-9-26-11-16(23-20(26)22-15)14-6-4-5-7-17(14)28-3/h4-11H,1-3H3.
What are the key properties of 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 371.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 118525854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).