5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C27H30N6O2 — CID 139558247

IUPAC5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ccc2cc(-c3ccn(C)n3)ncc2c1-c1nc(C2CCOCC2)n2c1CN(C)C(=O)C2C
InChIInChI=1S/C27H30N6O2/c1-16-5-6-19-13-22(21-7-10-32(4)30-21)28-14-20(19)24(16)25-23-15-31(3)27(34)17(2)33(23)26(29-25)18-8-11-35-12-9-18/h5-7,10,13-14,17-18H,8-9,11-12,15H2,1-4H3
InChIKeyOFMWHAPCEYGAFC-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.23
Rot. Bonds3

About 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558247) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558247
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ccc2cc(-c3ccn(C)n3)ncc2c1-c1nc(C2CCOCC2)n2c1CN(C)C(=O)C2C
InChIInChI=1S/C27H30N6O2/c1-16-5-6-19-13-22(21-7-10-32(4)30-21)28-14-20(19)24(16)25-23-15-31(3)27(34)17(2)33(23)26(29-25)18-8-11-35-12-9-18/h5-7,10,13-14,17-18H,8-9,11-12,15H2,1-4H3
InChIKeyOFMWHAPCEYGAFC-UHFFFAOYSA-N
XLogP4.23
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558247) is 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ccc2cc(-c3ccn(C)n3)ncc2c1-c1nc(C2CCOCC2)n2c1CN(C)C(=O)C2C.
What is the InChIKey of 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is OFMWHAPCEYGAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-5-6-19-13-22(21-7-10-32(4)30-21)28-14-20(19)24(16)25-23-15-31(3)27(34)17(2)33(23)26(29-25)18-8-11-35-12-9-18/h5-7,10,13-14,17-18H,8-9,11-12,15H2,1-4H3.
What are the key properties of 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 470.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1-[7-methyl-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).