1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C27H30N4O3 — CID 139558341

IUPAC1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(C5=CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H30N4O3/c1-17-27(32)30(2)16-24-25(29-26(31(17)24)19-8-12-34-13-9-19)21-5-3-4-20-14-23(28-15-22(20)21)18-6-10-33-11-7-18/h3-6,14-15,17,19H,7-13,16H2,1-2H3
InChIKeyUMVYGSINKVONPT-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.33
Rot. Bonds3

About 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558341) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558341
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(C5=CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H30N4O3/c1-17-27(32)30(2)16-24-25(29-26(31(17)24)19-8-12-34-13-9-19)21-5-3-4-20-14-23(28-15-22(20)21)18-6-10-33-11-7-18/h3-6,14-15,17,19H,7-13,16H2,1-2H3
InChIKeyUMVYGSINKVONPT-UHFFFAOYSA-N
XLogP4.33
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558341) is 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4cc(C5=CCOCC5)ncc34)nc(C3CCOCC3)n21.
What is the InChIKey of 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is UMVYGSINKVONPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-17-27(32)30(2)16-24-25(29-26(31(17)24)19-8-12-34-13-9-19)21-5-3-4-20-14-23(28-15-22(20)21)18-6-10-33-11-7-18/h3-6,14-15,17,19H,7-13,16H2,1-2H3.
What are the key properties of 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 458.56 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-dihydro-2H-pyran-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).