N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide

C19H24N6O2 — CID 167965895

IUPACN,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide
SMILESCCC(Nc1ncnc2c1cnn2C)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C19H24N6O2/c1-5-15(23-18-14-10-22-25(4)19(14)21-12-20-18)13-8-6-7-9-16(13)27-11-17(26)24(2)3/h6-10,12,15H,5,11H2,1-4H3,(H,20,21,23)
InChIKeyRSTXZTXLNRZSDE-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.39
Rot. Bonds7

About N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide

N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide (PubChem CID 167965895) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide
PubChem CID167965895
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide
SMILESCCC(Nc1ncnc2c1cnn2C)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C19H24N6O2/c1-5-15(23-18-14-10-22-25(4)19(14)21-12-20-18)13-8-6-7-9-16(13)27-11-17(26)24(2)3/h6-10,12,15H,5,11H2,1-4H3,(H,20,21,23)
InChIKeyRSTXZTXLNRZSDE-UHFFFAOYSA-N
XLogP2.39
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]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

Repotrectinib
CID 135565923
N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
Trk-IN-6
CID 155668394
Tpx-0131
CID 156024486
(R)-N-cyclopropyl-5-(2-(5-fluoro-2-(2-morpholinoethoxy)phenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500657
5-(6-(4-(2-morpholinoethoxy)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2(1H)-one
CID 50899556
Trk-IN-10
CID 163196393
1-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 168270399
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7711146
7-methyl-2-((o-tolyloxy)methyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 889442
4-(2-Ethoxyphenyl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 11133107
4-[4-(2-Cyano-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 44514401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide (CID 167965895) is N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide is CCC(Nc1ncnc2c1cnn2C)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide?
The InChIKey is RSTXZTXLNRZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-15(23-18-14-10-22-25(4)19(14)21-12-20-18)13-8-6-7-9-16(13)27-11-17(26)24(2)3/h6-10,12,15H,5,11H2,1-4H3,(H,20,21,23).
What are the key properties of N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide?
N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]phenoxy]acetamide is sourced from PubChem (CID 167965895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).