2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C21H20N6O2 — CID 138559255

IUPAC2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4cnc(C)o4)ccc3cn1)CC2
InChIInChI=1S/C21H20N6O2/c1-13-11-26-5-6-27(12-20(26)24-13)21(28)25-19-8-17-7-15(3-4-16(17)9-23-19)18-10-22-14(2)29-18/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,25,28)
InChIKeyWXFQJKOGHOMNRJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.75
Rot. Bonds2

About 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 138559255) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID138559255
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4cnc(C)o4)ccc3cn1)CC2
InChIInChI=1S/C21H20N6O2/c1-13-11-26-5-6-27(12-20(26)24-13)21(28)25-19-8-17-7-15(3-4-16(17)9-23-19)18-10-22-14(2)29-18/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,25,28)
InChIKeyWXFQJKOGHOMNRJ-UHFFFAOYSA-N
XLogP3.75
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 138559255) is 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is Cc1cn2c(n1)CN(C(=O)Nc1cc3cc(-c4cnc(C)o4)ccc3cn1)CC2.
What is the InChIKey of 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is WXFQJKOGHOMNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-11-26-5-6-27(12-20(26)24-13)21(28)25-19-8-17-7-15(3-4-16(17)9-23-19)18-10-22-14(2)29-18/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,25,28).
What are the key properties of 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138559255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).