N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide

C22H27N7O2 — CID 177375651

IUPACN-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nn(CCC3CCN(C(C)=O)CC3)c3ncnc(N)c23)c1
InChIInChI=1S/C22H27N7O2/c1-14(30)26-18-5-3-4-17(12-18)20-19-21(23)24-13-25-22(19)29(27-20)11-8-16-6-9-28(10-7-16)15(2)31/h3-5,12-13,16H,6-11H2,1-2H3,(H,26,30)(H2,23,24,25)
InChIKeyKQPYMHROKPFKBM-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.68
Rot. Bonds5

About N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide

N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide (PubChem CID 177375651) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide
PubChem CID177375651
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nn(CCC3CCN(C(C)=O)CC3)c3ncnc(N)c23)c1
InChIInChI=1S/C22H27N7O2/c1-14(30)26-18-5-3-4-17(12-18)20-19-21(23)24-13-25-22(19)29(27-20)11-8-16-6-9-28(10-7-16)15(2)31/h3-5,12-13,16H,6-11H2,1-2H3,(H,26,30)(H2,23,24,25)
InChIKeyKQPYMHROKPFKBM-UHFFFAOYSA-N
XLogP2.68
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide 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

1-[4-[2-[4-amino-3-(1-methylindol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 177375618
1-[4-[2-[4-amino-3-(6-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]piperidin-1-yl]ethanone
CID 177375622
acetic acid;3-[3-(benzylamino)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 20816995
3-(1H-indol-5-yl)-1-[2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177375608
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide
CID 58269141
3-(6-ethoxynaphthalen-2-yl)-1-(2-piperidin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70686760
1-[4-[4-amino-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 165404316
1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-3-(3-methylphenyl)urea
CID 20817126
N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-3-phenylpropanamide
CID 127051112
tert-butyl (3S)-3-[4-amino-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate
CID 45380892
1-[3-(aminomethyl)phenyl]-3-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]urea;dihydrochloride
CID 160669339
1-[4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 59757863

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide (CID 177375651) is N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nn(CCC3CCN(C(C)=O)CC3)c3ncnc(N)c23)c1.
What is the InChIKey of N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide?
The InChIKey is KQPYMHROKPFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-14(30)26-18-5-3-4-17(12-18)20-19-21(23)24-13-25-22(19)29(27-20)11-8-16-6-9-28(10-7-16)15(2)31/h3-5,12-13,16H,6-11H2,1-2H3,(H,26,30)(H2,23,24,25).
What are the key properties of N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide?
N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide has a molecular weight of 421.51 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(1-acetylpiperidin-4-yl)ethyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 177375651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).