1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C27H33N5O3 — CID 158953894

IUPAC1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H33N5O3/c1-2-25(33)31-8-9-32-23(18-31)26(29-27(32)19-6-12-34-13-7-19)21-5-3-4-20-16-24(28-17-22(20)21)30-10-14-35-15-11-30/h3-5,16-17,19H,2,6-15,18H2,1H3
InChIKeyNEPLGYRXHYLYNY-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 158953894) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID158953894
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H33N5O3/c1-2-25(33)31-8-9-32-23(18-31)26(29-27(32)19-6-12-34-13-7-19)21-5-3-4-20-16-24(28-17-22(20)21)30-10-14-35-15-11-30/h3-5,16-17,19H,2,6-15,18H2,1H3
InChIKeyNEPLGYRXHYLYNY-UHFFFAOYSA-N
XLogP3.58
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one with MolForge

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Related Compounds

N-methyl-N-[(5-morpholinoimidazo[1,2-a]pyridin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 45487054
4-[2-Methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413428
4-[3-[5-(2-Methoxyethyl)-2-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413438
4-[2-Methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193
4-[3-[6-(2-Methoxyethyl)-3-pyridinyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67424653
4-[3-[6-(3-Methoxypropyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425294
4-[3-(6-Ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine
CID 139326529
4-[5-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]pyrimidin-2-yl]morpholine
CID 168283226
8-[6-(Dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379536
8-[6-(Dimethylamino)-3-pyridinyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379644
4-[5-[8-Fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]morpholine
CID 122179435

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 158953894) is 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1.
What is the InChIKey of 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is NEPLGYRXHYLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-2-25(33)31-8-9-32-23(18-31)26(29-27(32)19-6-12-34-13-7-19)21-5-3-4-20-16-24(28-17-22(20)21)30-10-14-35-15-11-30/h3-5,16-17,19H,2,6-15,18H2,1H3.
What are the key properties of 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 475.59 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-morpholin-4-ylisoquinolin-8-yl)-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158953894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).