N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C21H26N6O2 — CID 66931705

IUPACN-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1noc(C(NC(=O)c2nc(-c3ccccc3)n3c2CNCC3)C(C)(C)C)n1
InChIInChI=1S/C21H26N6O2/c1-13-23-20(29-26-13)17(21(2,3)4)25-19(28)16-15-12-22-10-11-27(15)18(24-16)14-8-6-5-7-9-14/h5-9,17,22H,10-12H2,1-4H3,(H,25,28)
InChIKeyNDEIYRLNRNNZFE-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.86
Rot. Bonds4

About N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66931705) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66931705
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCc1noc(C(NC(=O)c2nc(-c3ccccc3)n3c2CNCC3)C(C)(C)C)n1
InChIInChI=1S/C21H26N6O2/c1-13-23-20(29-26-13)17(21(2,3)4)25-19(28)16-15-12-22-10-11-27(15)18(24-16)14-8-6-5-7-9-14/h5-9,17,22H,10-12H2,1-4H3,(H,25,28)
InChIKeyNDEIYRLNRNNZFE-UHFFFAOYSA-N
XLogP2.86
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 66931705) is N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is Cc1noc(C(NC(=O)c2nc(-c3ccccc3)n3c2CNCC3)C(C)(C)C)n1.
What is the InChIKey of N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is NDEIYRLNRNNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-23-20(29-26-13)17(21(2,3)4)25-19(28)16-15-12-22-10-11-27(15)18(24-16)14-8-6-5-7-9-14/h5-9,17,22H,10-12H2,1-4H3,(H,25,28).
What are the key properties of N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66931705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).