3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C24H23FN6O — CID 139558267

IUPAC3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCn1cc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(CCF)C(=O)C5)c3cn2)cn1
InChIInChI=1S/C24H23FN6O/c1-29-12-17(10-27-29)20-9-16-3-2-4-18(19(16)11-26-20)23-21-13-30(8-7-25)22(32)14-31(21)24(28-23)15-5-6-15/h2-4,9-12,15H,5-8,13-14H2,1H3
InChIKeyWQGXLKLUVGSDSG-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.69
Rot. Bonds5

About 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558267) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558267
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCn1cc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(CCF)C(=O)C5)c3cn2)cn1
InChIInChI=1S/C24H23FN6O/c1-29-12-17(10-27-29)20-9-16-3-2-4-18(19(16)11-26-20)23-21-13-30(8-7-25)22(32)14-31(21)24(28-23)15-5-6-15/h2-4,9-12,15H,5-8,13-14H2,1H3
InChIKeyWQGXLKLUVGSDSG-UHFFFAOYSA-N
XLogP3.69
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558267) is 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cn1cc(-c2cc3cccc(-c4nc(C5CC5)n5c4CN(CCF)C(=O)C5)c3cn2)cn1.
What is the InChIKey of 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is WQGXLKLUVGSDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-29-12-17(10-27-29)20-9-16-3-2-4-18(19(16)11-26-20)23-21-13-30(8-7-25)22(32)14-31(21)24(28-23)15-5-6-15/h2-4,9-12,15H,5-8,13-14H2,1H3.
What are the key properties of 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 430.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-(2-fluoroethyl)-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).