3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol

C19H19N7O — CID 58515153

IUPAC3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCN(C)c1ncccc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N7O/c1-25(2)18-13(6-4-8-21-18)10-26-19-15(17(20)22-11-23-19)16(24-26)12-5-3-7-14(27)9-12/h3-9,11,27H,10H2,1-2H3,(H2,20,22,23)
InChIKeyBRDAAXXKKFFQKD-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.29
Rot. Bonds4

About 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol

3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol (PubChem CID 58515153) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
PubChem CID58515153
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
SMILESCN(C)c1ncccc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21
InChIInChI=1S/C19H19N7O/c1-25(2)18-13(6-4-8-21-18)10-26-19-15(17(20)22-11-23-19)16(24-26)12-5-3-7-14(27)9-12/h3-9,11,27H,10H2,1-2H3,(H2,20,22,23)
InChIKeyBRDAAXXKKFFQKD-UHFFFAOYSA-N
XLogP2.29
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol 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 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The IUPAC name of 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol (CID 58515153) is 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol.
What is the SMILES notation for 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The canonical SMILES for 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol is CN(C)c1ncccc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
The InChIKey is BRDAAXXKKFFQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25(2)18-13(6-4-8-21-18)10-26-19-15(17(20)22-11-23-19)16(24-26)12-5-3-7-14(27)9-12/h3-9,11,27H,10H2,1-2H3,(H2,20,22,23).
What are the key properties of 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol?
3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol has a molecular weight of 361.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol is sourced from PubChem (CID 58515153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).