1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one

C24H22N4O — CID 158049247

IUPAC1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCCC(=O)C5)cc34)cc2)cn1
InChIInChI=1S/C24H22N4O/c1-27-15-20(13-26-27)17-4-6-18(7-5-17)24-14-25-12-19-8-9-21(11-23(19)24)28-10-2-3-22(29)16-28/h4-9,11-15H,2-3,10,16H2,1H3
InChIKeyFJGYWJBTFNAIMY-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.47
Rot. Bonds3

About 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one

1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one (PubChem CID 158049247) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one
PubChem CID158049247
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one
SMILESCn1cc(-c2ccc(-c3cncc4ccc(N5CCCC(=O)C5)cc34)cc2)cn1
InChIInChI=1S/C24H22N4O/c1-27-15-20(13-26-27)17-4-6-18(7-5-17)24-14-25-12-19-8-9-21(11-23(19)24)28-10-2-3-22(29)16-28/h4-9,11-15H,2-3,10,16H2,1H3
InChIKeyFJGYWJBTFNAIMY-UHFFFAOYSA-N
XLogP4.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-3-one
CID 118660770
5-methyl-1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]pyrrolidin-2-one
CID 118660683
2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]benzenesulfonamide
CID 118665723
N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
CID 118660739
(3-fluoro-3-methylazetidin-1-yl)-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]methanone
CID 118660824
1-[4-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]isoquinolin-6-yl]-3a,4-dihydro-3H-indol-2-one
CID 141480972
2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
CID 127044488
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
1-(3,4-dimethylphenyl)pyrrolidin-3-one
CID 23052682
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one?
The IUPAC name of 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one (CID 158049247) is 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one.
What is the SMILES notation for 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one?
The canonical SMILES for 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one is Cn1cc(-c2ccc(-c3cncc4ccc(N5CCCC(=O)C5)cc34)cc2)cn1.
What is the InChIKey of 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one?
The InChIKey is FJGYWJBTFNAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-27-15-20(13-26-27)17-4-6-18(7-5-17)24-14-25-12-19-8-9-21(11-23(19)24)28-10-2-3-22(29)16-28/h4-9,11-15H,2-3,10,16H2,1H3.
What are the key properties of 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one?
1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one has a molecular weight of 382.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]piperidin-3-one is sourced from PubChem (CID 158049247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).