6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one

C24H22F2N4O — CID 165018746

IUPAC6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one
SMILESC=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)nn(C)c2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)29(2)28-22(20)18-4-5-19-17(13-18)7-10-27-23(19)31/h3-7,10,13-14H,1,8-9,11-12H2,2H3,(H,27,31)
InChIKeyVRWOUSPYJYDVNT-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.78
Rot. Bonds3

About 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one

6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one (PubChem CID 165018746) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one
PubChem CID165018746
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one
SMILESC=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)nn(C)c2c1)N1CCC(F)(F)CC1
InChIInChI=1S/C24H22F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)29(2)28-22(20)18-4-5-19-17(13-18)7-10-27-23(19)31/h3-7,10,13-14H,1,8-9,11-12H2,2H3,(H,27,31)
InChIKeyVRWOUSPYJYDVNT-UHFFFAOYSA-N
XLogP4.78
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-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

Related Compounds

6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1H-indazol-3-yl]-2H-isoquinolin-1-one
CID 167561873
6-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2H-isoquinolin-1-one;6-[5-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-3H-isoindol-1-yl]-2H-phthalazin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindol-3-yl]-2H-isoquinolin-1-one;6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindol-3-yl]-2H-phthalazin-1-one
CID 164947853
4,4-difluoro-1-methylpiperidine;6-(1-oxo-2H-isoquinolin-6-yl)naphthalene-2-carbaldehyde
CID 154667399
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
1-oxo-2H-isoquinoline-6-carboxamide
CID 22175306
methyl 4-methyl-3,5-bis(1-oxo-2H-isoquinolin-6-yl)benzoate
CID 68722321
3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667156
6-propan-2-yl-2H-isoquinolin-1-one
CID 59592914
ethane;6-methyl-2H-isoquinolin-1-one
CID 142940504
[4-methyl-3-(1-oxo-2H-isoquinolin-6-yl)phenyl]boronic acid
CID 90349182
3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-5,6-dimethyl-1H-pyridin-2-one
CID 122559227

Frequently Asked Questions

What is the IUPAC name of 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one?
The IUPAC name of 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one (CID 165018746) is 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one?
The canonical SMILES for 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one is C=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)nn(C)c2c1)N1CCC(F)(F)CC1.
What is the InChIKey of 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one?
The InChIKey is VRWOUSPYJYDVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-15(30-11-8-24(25,26)9-12-30)16-3-6-20-21(14-16)29(2)28-22(20)18-4-5-19-17(13-18)7-10-27-23(19)31/h3-7,10,13-14H,1,8-9,11-12H2,2H3,(H,27,31).
What are the key properties of 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one?
6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one has a molecular weight of 420.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[1-(4,4-difluoropiperidin-1-yl)ethenyl]-1-methylindazol-3-yl]-2H-isoquinolin-1-one is sourced from PubChem (CID 165018746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).