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

C26H27FN6O2 — CID 139571080

IUPAC(5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1
InChIInChI=1S/C26H27FN6O2/c1-15-12-32(14-29-15)22-10-18-4-5-20(27)23(19(18)11-28-22)24-21-13-31(3)26(34)16(2)33(21)25(30-24)17-6-8-35-9-7-17/h4-5,10-12,14,16-17H,6-9,13H2,1-3H3/t16-/m1/s1
InChIKeyTUIGEQBAGRSUMQ-MRXNPFEDSA-N
MW474.54 g/mol
LogP4.16
Rot. Bonds3

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

(5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139571080) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139571080
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name(5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cn(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1
InChIInChI=1S/C26H27FN6O2/c1-15-12-32(14-29-15)22-10-18-4-5-20(27)23(19(18)11-28-22)24-21-13-31(3)26(34)16(2)33(21)25(30-24)17-6-8-35-9-7-17/h4-5,10-12,14,16-17H,6-9,13H2,1-3H3/t16-/m1/s1
InChIKeyTUIGEQBAGRSUMQ-MRXNPFEDSA-N
XLogP4.16
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139571080) is (5R)-1-[7-fluoro-3-(4-methylimidazol-1-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 (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1cn(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@H]5C)c3cn2)cn1.
What is the InChIKey of (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is TUIGEQBAGRSUMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-15-12-32(14-29-15)22-10-18-4-5-20(27)23(19(18)11-28-22)24-21-13-31(3)26(34)16(2)33(21)25(30-24)17-6-8-35-9-7-17/h4-5,10-12,14,16-17H,6-9,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-1-[7-fluoro-3-(4-methylimidazol-1-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 474.54 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[7-fluoro-3-(4-methylimidazol-1-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 139571080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).