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

C27H29FN6O2 — CID 139558391

IUPAC1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1nn(C)cc1-c1cc2ccc(F)c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/C27H29FN6O2/c1-15-20(13-33(4)31-15)22-11-18-5-6-21(28)24(19(18)12-29-22)25-23-14-32(3)27(35)16(2)34(23)26(30-25)17-7-9-36-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3
InChIKeyOJPOVVTUDJNUND-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.37
Rot. Bonds3

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

1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558391) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558391
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1nn(C)cc1-c1cc2ccc(F)c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1
InChIInChI=1S/C27H29FN6O2/c1-15-20(13-33(4)31-15)22-11-18-5-6-21(28)24(19(18)12-29-22)25-23-14-32(3)27(35)16(2)34(23)26(30-25)17-7-9-36-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3
InChIKeyOJPOVVTUDJNUND-UHFFFAOYSA-N
XLogP4.37
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-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 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558391) is 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1nn(C)cc1-c1cc2ccc(F)c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4C)c2cn1.
What is the InChIKey of 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is OJPOVVTUDJNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-15-20(13-33(4)31-15)22-11-18-5-6-21(28)24(19(18)12-29-22)25-23-14-32(3)27(35)16(2)34(23)26(30-25)17-7-9-36-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3.
What are the key properties of 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 488.57 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).