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

C25H25FN6O2 — CID 139570832

IUPAC1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(-c5cnn(C)c5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H25FN6O2/c1-30-13-21-24(29-25(32(21)14-22(30)33)15-5-7-34-8-6-15)23-18-11-27-20(17-10-28-31(2)12-17)9-16(18)3-4-19(23)26/h3-4,9-12,15H,5-8,13-14H2,1-2H3
InChIKeyQVLBFEOPVJKLHD-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.50
Rot. Bonds3

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

1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570832) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-[7-fluoro-3-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570832
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3c(F)ccc4cc(-c5cnn(C)c5)ncc34)nc(C3CCOCC3)n2CC1=O
InChIInChI=1S/C25H25FN6O2/c1-30-13-21-24(29-25(32(21)14-22(30)33)15-5-7-34-8-6-15)23-18-11-27-20(17-10-28-31(2)12-17)9-16(18)3-4-19(23)26/h3-4,9-12,15H,5-8,13-14H2,1-2H3
InChIKeyQVLBFEOPVJKLHD-UHFFFAOYSA-N
XLogP3.50
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-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-[7-fluoro-3-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570832) is 1-[7-fluoro-3-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-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(-c5cnn(C)c5)ncc34)nc(C3CCOCC3)n2CC1=O.
What is the InChIKey of 1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is QVLBFEOPVJKLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-30-13-21-24(29-25(32(21)14-22(30)33)15-5-7-34-8-6-15)23-18-11-27-20(17-10-28-31(2)12-17)9-16(18)3-4-19(23)26/h3-4,9-12,15H,5-8,13-14H2,1-2H3.
What are the key properties of 1-[7-fluoro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[7-fluoro-3-(1-methylpyrazol-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 460.51 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(1-methylpyrazol-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 139570832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).