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

C27H31FN4O3 — CID 139571040

IUPAC(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H31FN4O3/c1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h3-4,13-14,16-18H,5-12,15H2,1-2H3/t16-/m0/s1
InChIKeyXCLNJLZDQKLYEU-INIZCTEOSA-N
MW478.57 g/mol
LogP4.56
Rot. Bonds3

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

(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139571040) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is (5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139571040
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC Name(5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H31FN4O3/c1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h3-4,13-14,16-18H,5-12,15H2,1-2H3/t16-/m0/s1
InChIKeyXCLNJLZDQKLYEU-INIZCTEOSA-N
XLogP4.56
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-1-[7-fluoro-3-(oxan-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 (5S)-1-[7-fluoro-3-(oxan-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 (5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139571040) is (5S)-1-[7-fluoro-3-(oxan-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 (5S)-1-[7-fluoro-3-(oxan-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 (5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@H]1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.
What is the InChIKey of (5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is XCLNJLZDQKLYEU-INIZCTEOSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28/h3-4,13-14,16-18H,5-12,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-1-[7-fluoro-3-(oxan-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 478.57 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[7-fluoro-3-(oxan-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 139571040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).