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

C26H29FN4O3 — CID 139558330

IUPAC1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H29FN4O3/c1-30-14-22-25(29-26(31(22)15-23(30)32)17-6-10-34-11-7-17)24-19-13-28-21(16-4-8-33-9-5-16)12-18(19)2-3-20(24)27/h2-3,12-13,16-17H,4-11,14-15H2,1H3
InChIKeyHAQSYYOVDCMOLK-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.00
Rot. Bonds3

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

1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558330) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558330
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC Name1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C26H29FN4O3/c1-30-14-22-25(29-26(31(22)15-23(30)32)17-6-10-34-11-7-17)24-19-13-28-21(16-4-8-33-9-5-16)12-18(19)2-3-20(24)27/h2-3,12-13,16-17H,4-11,14-15H2,1H3
InChIKeyHAQSYYOVDCMOLK-UHFFFAOYSA-N
XLogP4.00
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558330) is 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is HAQSYYOVDCMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-30-14-22-25(29-26(31(22)15-23(30)32)17-6-10-34-11-7-17)24-19-13-28-21(16-4-8-33-9-5-16)12-18(19)2-3-20(24)27/h2-3,12-13,16-17H,4-11,14-15H2,1H3.
What are the key properties of 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 464.54 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).