1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone

C21H22N4O — CID 153047803

IUPAC1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCn2c(-c3ccc4cnc(CC(=O)C5CC5)cc4c3)cnc2C1
InChIInChI=1S/C21H22N4O/c1-24-6-7-25-19(12-23-21(25)13-24)15-4-5-16-11-22-18(9-17(16)8-15)10-20(26)14-2-3-14/h4-5,8-9,11-12,14H,2-3,6-7,10,13H2,1H3
InChIKeyVGYPKDMFMIZPKT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.07
Rot. Bonds4

About 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone

1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone (PubChem CID 153047803) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
PubChem CID153047803
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
SMILESCN1CCn2c(-c3ccc4cnc(CC(=O)C5CC5)cc4c3)cnc2C1
InChIInChI=1S/C21H22N4O/c1-24-6-7-25-19(12-23-21(25)13-24)15-4-5-16-11-22-18(9-17(16)8-15)10-20(26)14-2-3-14/h4-5,8-9,11-12,14H,2-3,6-7,10,13H2,1H3
InChIKeyVGYPKDMFMIZPKT-UHFFFAOYSA-N
XLogP3.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone (CID 153047803) is 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone is CN1CCn2c(-c3ccc4cnc(CC(=O)C5CC5)cc4c3)cnc2C1.
What is the InChIKey of 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone?
The InChIKey is VGYPKDMFMIZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-6-7-25-19(12-23-21(25)13-24)15-4-5-16-11-22-18(9-17(16)8-15)10-20(26)14-2-3-14/h4-5,8-9,11-12,14H,2-3,6-7,10,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone?
1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 153047803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).