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

C22H25F2N7O2 — CID 162659101

IUPAC2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1
InChIInChI=1S/C22H25F2N7O2/c23-17-2-1-14(11-18(17)24)12-19(32)30-5-3-15(4-6-30)26-22-25-13-16-20(27-22)28-29-21(16)31-7-9-33-10-8-31/h1-2,11,13,15H,3-10,12H2,(H2,25,26,27,28,29)
InChIKeyXPYOCUNKDACBLQ-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.11
Rot. Bonds5

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

2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone (PubChem CID 162659101) has the molecular formula C22H25F2N7O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
PubChem CID162659101
Molecular FormulaC22H25F2N7O2
Molecular Weight457.49 g/mol
Exact Mass457.20
IUPAC Name2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1
InChIInChI=1S/C22H25F2N7O2/c23-17-2-1-14(11-18(17)24)12-19(32)30-5-3-15(4-6-30)26-22-25-13-16-20(27-22)28-29-21(16)31-7-9-33-10-8-31/h1-2,11,13,15H,3-10,12H2,(H2,25,26,27,28,29)
InChIKeyXPYOCUNKDACBLQ-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-(3,4-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

Related Compounds

Pyrazolo pyrimidine, 15
CID 44233162
2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide
CID 44606820
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]morpholine-4-carboxamide
CID 57385110
2-(2,4-difluorophenyl)-1-[4-[(3-pyridin-2-yl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
CID 162649049
2-(3,4-difluorophenyl)-1-[4-[[3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
CID 162649657
2-(2,4-difluorophenyl)-1-[4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone
CID 162659163
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
2-(2,4-difluorophenyl)-1-[4-[[3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]piperidin-1-yl]ethanone
CID 162661845
US10030016, Example 305
CID 68161850
US9670208, Example 140 (2,6-difluorophenyl)(2-(7-(2-((tetrahydro-2H-pyran-4-yl)amino)pyrimidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)morpholino)methanone
CID 118216897
N-[1-[2-(2,5-difluorophenyl)ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122445197
N-[3,3-difluoro-1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122445231

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-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-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone (CID 162659101) is 2-(3,4-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-(3,4-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-(3,4-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)c(F)c1)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is XPYOCUNKDACBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O2/c23-17-2-1-14(11-18(17)24)12-19(32)30-5-3-15(4-6-30)26-22-25-13-16-20(27-22)28-29-21(16)31-7-9-33-10-8-31/h1-2,11,13,15H,3-10,12H2,(H2,25,26,27,28,29).
What are the key properties of 2-(3,4-difluorophenyl)-1-[4-[(3-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]piperidin-1-yl]ethanone?
2-(3,4-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-(3,4-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 162659101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).