3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C23H21N5O2 — CID 139558327

IUPAC3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ncco5)ncc34)nc(C3CC3)n21
InChIInChI=1S/C23H21N5O2/c1-13-23(29)27(2)12-19-20(26-21(28(13)19)14-6-7-14)16-5-3-4-15-10-18(25-11-17(15)16)22-24-8-9-30-22/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKeyOZFHVOZOEGSTSI-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.16
Rot. Bonds3

About 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558327) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558327
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ncco5)ncc34)nc(C3CC3)n21
InChIInChI=1S/C23H21N5O2/c1-13-23(29)27(2)12-19-20(26-21(28(13)19)14-6-7-14)16-5-3-4-15-10-18(25-11-17(15)16)22-24-8-9-30-22/h3-5,8-11,13-14H,6-7,12H2,1-2H3
InChIKeyOZFHVOZOEGSTSI-UHFFFAOYSA-N
XLogP4.16
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558327) is 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4cc(-c5ncco5)ncc34)nc(C3CC3)n21.
What is the InChIKey of 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is OZFHVOZOEGSTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-13-23(29)27(2)12-19-20(26-21(28(13)19)14-6-7-14)16-5-3-4-15-10-18(25-11-17(15)16)22-24-8-9-30-22/h3-5,8-11,13-14H,6-7,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 399.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).