6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

C22H24F2N6O2 — CID 126952953

IUPAC6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(N3CCC(Oc4cccc5c4ccn5CC(F)F)CC3)nc2n1
InChIInChI=1S/C22H24F2N6O2/c1-27-12-16-20(26-27)25-22(28(2)21(16)31)29-9-6-14(7-10-29)32-18-5-3-4-17-15(18)8-11-30(17)13-19(23)24/h3-5,8,11-12,14,19H,6-7,9-10,13H2,1-2H3
InChIKeyGFAOMCSJMJMUMH-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.93
Rot. Bonds5

About 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one

6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 126952953) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
PubChem CID126952953
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1cc2c(=O)n(C)c(N3CCC(Oc4cccc5c4ccn5CC(F)F)CC3)nc2n1
InChIInChI=1S/C22H24F2N6O2/c1-27-12-16-20(26-27)25-22(28(2)21(16)31)29-9-6-14(7-10-29)32-18-5-3-4-17-15(18)8-11-30(17)13-19(23)24/h3-5,8,11-12,14,19H,6-7,9-10,13H2,1-2H3
InChIKeyGFAOMCSJMJMUMH-UHFFFAOYSA-N
XLogP2.93
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-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-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one (CID 126952953) is 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is Cn1cc2c(=O)n(C)c(N3CCC(Oc4cccc5c4ccn5CC(F)F)CC3)nc2n1.
What is the InChIKey of 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is GFAOMCSJMJMUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c1-27-12-16-20(26-27)25-22(28(2)21(16)31)29-9-6-14(7-10-29)32-18-5-3-4-17-15(18)8-11-30(17)13-19(23)24/h3-5,8,11-12,14,19H,6-7,9-10,13H2,1-2H3.
What are the key properties of 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one?
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 442.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126952953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).