6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one

C24H25FN6O — CID 166092215

IUPAC6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cc2c(cc1-c1nc(-c3ccc(N4CCNCC4)cc3)c(F)nc1N)CCNC2=O
InChIInChI=1S/C24H25FN6O/c1-14-12-19-16(6-7-28-24(19)32)13-18(14)21-23(26)30-22(25)20(29-21)15-2-4-17(5-3-15)31-10-8-27-9-11-31/h2-5,12-13,27H,6-11H2,1H3,(H2,26,30)(H,28,32)
InChIKeyMQUPEBNWOHDGMU-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.54
Rot. Bonds3

About 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one

6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 166092215) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID166092215
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1cc2c(cc1-c1nc(-c3ccc(N4CCNCC4)cc3)c(F)nc1N)CCNC2=O
InChIInChI=1S/C24H25FN6O/c1-14-12-19-16(6-7-28-24(19)32)13-18(14)21-23(26)30-22(25)20(29-21)15-2-4-17(5-3-15)31-10-8-27-9-11-31/h2-5,12-13,27H,6-11H2,1H3,(H2,26,30)(H,28,32)
InChIKeyMQUPEBNWOHDGMU-UHFFFAOYSA-N
XLogP2.54
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 166092215) is 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one is Cc1cc2c(cc1-c1nc(-c3ccc(N4CCNCC4)cc3)c(F)nc1N)CCNC2=O.
What is the InChIKey of 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is MQUPEBNWOHDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-14-12-19-16(6-7-28-24(19)32)13-18(14)21-23(26)30-22(25)20(29-21)15-2-4-17(5-3-15)31-10-8-27-9-11-31/h2-5,12-13,27H,6-11H2,1H3,(H2,26,30)(H,28,32).
What are the key properties of 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one?
6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 432.50 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-5-fluoro-6-(4-piperazin-1-ylphenyl)pyrazin-2-yl]-7-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 166092215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).