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

C18H19N5O2 — CID 131695249

IUPAC7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccc(C#N)c2)Cc2cncn21
InChIInChI=1S/C18H19N5O2/c1-12(2)21-17(24)16-10-22(9-15-8-20-11-23(15)16)18(25)14-5-3-4-13(6-14)7-19/h3-6,8,11-12,16H,9-10H2,1-2H3,(H,21,24)
InChIKeyNTVSKMVIFYBAOT-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.48
Rot. Bonds3

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

7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 131695249) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID131695249
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2cccc(C#N)c2)Cc2cncn21
InChIInChI=1S/C18H19N5O2/c1-12(2)21-17(24)16-10-22(9-15-8-20-11-23(15)16)18(25)14-5-3-4-13(6-14)7-19/h3-6,8,11-12,16H,9-10H2,1-2H3,(H,21,24)
InChIKeyNTVSKMVIFYBAOT-UHFFFAOYSA-N
XLogP1.48
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide (CID 131695249) is 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2cccc(C#N)c2)Cc2cncn21.
What is the InChIKey of 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NTVSKMVIFYBAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12(2)21-17(24)16-10-22(9-15-8-20-11-23(15)16)18(25)14-5-3-4-13(6-14)7-19/h3-6,8,11-12,16H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide?
7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyanobenzoyl)-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 131695249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).