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

C25H25N5O — CID 171809319

IUPAC1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCc1nc(-c2cccc3cc(-c4ccc(C)nc4)ncc23)c2n1CCN(C(C)=O)C2
InChIInChI=1S/C25H25N5O/c1-4-24-28-25(23-15-29(17(3)31)10-11-30(23)24)20-7-5-6-18-12-22(27-14-21(18)20)19-9-8-16(2)26-13-19/h5-9,12-14H,4,10-11,15H2,1-3H3
InChIKeyNCFIHKVKWGFTQG-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.39
Rot. Bonds3

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

1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 171809319) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID171809319
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCCc1nc(-c2cccc3cc(-c4ccc(C)nc4)ncc23)c2n1CCN(C(C)=O)C2
InChIInChI=1S/C25H25N5O/c1-4-24-28-25(23-15-29(17(3)31)10-11-30(23)24)20-7-5-6-18-12-22(27-14-21(18)20)19-9-8-16(2)26-13-19/h5-9,12-14H,4,10-11,15H2,1-3H3
InChIKeyNCFIHKVKWGFTQG-UHFFFAOYSA-N
XLogP4.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 171809319) is 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CCc1nc(-c2cccc3cc(-c4ccc(C)nc4)ncc23)c2n1CCN(C(C)=O)C2.
What is the InChIKey of 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is NCFIHKVKWGFTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-4-24-28-25(23-15-29(17(3)31)10-11-30(23)24)20-7-5-6-18-12-22(27-14-21(18)20)19-9-8-16(2)26-13-19/h5-9,12-14H,4,10-11,15H2,1-3H3.
What are the key properties of 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 411.51 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-1-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 171809319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).