6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

C26H31N7O2 — CID 153338786

IUPAC6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC=CCn1c(=O)c2cnc(Nc3ccc(CCN(C)C)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C26H31N7O2/c1-6-15-32-24(34)20-17-27-25(28-19-12-10-18(11-13-19)14-16-31(4)5)30-23(20)33(32)22-9-7-8-21(29-22)26(2,3)35/h6-13,17,35H,1,14-16H2,2-5H3,(H,27,28,30)
InChIKeyIRUAARSJQLHNKG-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.24
Rot. Bonds9

About 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one

6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 153338786) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID153338786
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
SMILESC=CCn1c(=O)c2cnc(Nc3ccc(CCN(C)C)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIInChI=1S/C26H31N7O2/c1-6-15-32-24(34)20-17-27-25(28-19-12-10-18(11-13-19)14-16-31(4)5)30-23(20)33(32)22-9-7-8-21(29-22)26(2,3)35/h6-13,17,35H,1,14-16H2,2-5H3,(H,27,28,30)
InChIKeyIRUAARSJQLHNKG-UHFFFAOYSA-N
XLogP3.24
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one 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 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one (CID 153338786) is 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc(CCN(C)C)cc3)nc2n1-c1cccc(C(C)(C)O)n1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is IRUAARSJQLHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-6-15-32-24(34)20-17-27-25(28-19-12-10-18(11-13-19)14-16-31(4)5)30-23(20)33(32)22-9-7-8-21(29-22)26(2,3)35/h6-13,17,35H,1,14-16H2,2-5H3,(H,27,28,30).
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one?
6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 473.58 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 153338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).