1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C22H24N4O2 — CID 158548130

IUPAC1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1
InChIInChI=1S/C22H24N4O2/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16/h4-6,11-12,14H,3,7-10,13H2,1-2H3
InChIKeyYQRJXGRFQHVKQQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 158548130) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID158548130
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1
InChIInChI=1S/C22H24N4O2/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16/h4-6,11-12,14H,3,7-10,13H2,1-2H3
InChIKeyYQRJXGRFQHVKQQ-UHFFFAOYSA-N
XLogP3.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2-(4-Methoxyphenyl)imidazo[2,1-a]isoquinoline
CID 746061
Imidazopyridine 10d
CID 5329343
3-(1-Cyclopropylpropyl)-2-ethyl-7-(6-methoxy-2-methyl-3-pyridinyl)imidazo[4,5-b]pyridine
CID 10360548
3-(1-Cyclopropylpropyl)-2-ethyl-7-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridine
CID 44329913
3-Isobutyl-8-(6-methoxy-isoquinolin-4-ylmethyl)-1-methyl-3,7-dihydro-purine-2,6-dione
CID 9821924
3-(2-Methoxyphenyl)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 10739279
8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-3-isobutyl-1,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 22226537
8,9-Dimethoxy-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902030
8,9-Dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902291
8,9-Dimethoxy-1-pyridin-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 70683262
cyclopentyl-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]methanone
CID 145967821

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 158548130) is 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(OC)ncc34)c2C1.
What is the InChIKey of 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is YQRJXGRFQHVKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-20(27)25-9-10-26-18(13-25)21(24-22(26)14-7-8-14)16-6-4-5-15-11-19(28-2)23-12-17(15)16/h4-6,11-12,14H,3,7-10,13H2,1-2H3.
What are the key properties of 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-(3-methoxyisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158548130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).