2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone

C22H25F2N7O2 — CID 162661336

IUPAC2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1
InChIInChI=1S/C22H25F2N7O2/c23-15-2-1-14(18(24)12-15)11-19(32)30-5-3-16(4-6-30)26-22-25-13-17-20(27-22)28-29-21(17)31-7-9-33-10-8-31/h1-2,12-13,16H,3-11H2,(H2,25,26,27,28,29)
InChIKeyHZZVZESROQZUAH-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.11
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone

2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone (PubChem CID 162661336) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
PubChem CID162661336
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Name2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1F)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1
InChIInChI=1S/C22H25F2N7O2/c23-15-2-1-14(18(24)12-15)11-19(32)30-5-3-16(4-6-30)26-22-25-13-17-20(27-22)28-29-21(17)31-7-9-33-10-8-31/h1-2,12-13,16H,3-11H2,(H2,25,26,27,28,29)
InChIKeyHZZVZESROQZUAH-UHFFFAOYSA-N
XLogP2.11
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone 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 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone (CID 162661336) is 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1F)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is HZZVZESROQZUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c23-15-2-1-14(18(24)12-15)11-19(32)30-5-3-16(4-6-30)26-22-25-13-17-20(27-22)28-29-21(17)31-7-9-33-10-8-31/h1-2,12-13,16H,3-11H2,(H2,25,26,27,28,29).
What are the key properties of 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 457.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 162661336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).