methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate

C19H23N5O2 — CID 133349842

IUPACmethyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1ncc2c(NC(c3ccccc3)C(C)(C)C)ncnc21
InChIInChI=1S/C19H23N5O2/c1-19(2,3)16(13-8-6-5-7-9-13)23-17-14-10-22-24(11-15(25)26-4)18(14)21-12-20-17/h5-10,12,16H,11H2,1-4H3,(H,20,21,23)
InChIKeyGNSJLBQETMTBPR-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.20
Rot. Bonds5

About methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate

methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate (PubChem CID 133349842) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
PubChem CID133349842
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Namemethyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1ncc2c(NC(c3ccccc3)C(C)(C)C)ncnc21
InChIInChI=1S/C19H23N5O2/c1-19(2,3)16(13-8-6-5-7-9-13)23-17-14-10-22-24(11-15(25)26-4)18(14)21-12-20-17/h5-10,12,16H,11H2,1-4H3,(H,20,21,23)
InChIKeyGNSJLBQETMTBPR-UHFFFAOYSA-N
XLogP3.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-[[(4-ethoxyphenyl)-phenylmethyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86964224
methyl 2-[4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133438725
methyl 2-[4-[[(1S)-3-methyl-1-(2-propoxyphenyl)butyl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 95785053
methyl 2-[4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133387036
methyl 2-[4-(3-fluoro-5-methoxyanilino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133362703
methyl 2-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86777702
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 56794809
methyl 2-[4-[(2-chloro-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133308021
methyl 2-[4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133380287
methyl 2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86964265
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
methyl 2-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133435250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate (CID 133349842) is methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate is COC(=O)Cn1ncc2c(NC(c3ccccc3)C(C)(C)C)ncnc21.
What is the InChIKey of methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
The InChIKey is GNSJLBQETMTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2,3)16(13-8-6-5-7-9-13)23-17-14-10-22-24(11-15(25)26-4)18(14)21-12-20-17/h5-10,12,16H,11H2,1-4H3,(H,20,21,23).
What are the key properties of methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate?
methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate has a molecular weight of 353.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,2-dimethyl-1-phenylpropyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 133349842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).