2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol

C15H25N7O — CID 50795417

IUPAC2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
SMILESCC(C)Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C
InChIInChI=1S/C15H25N7O/c1-11(2)17-13-12-10-16-20(3)14(12)19-15(18-13)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyFECJTEPAEJYTJY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.30
Rot. Bonds5

About 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol

2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol (PubChem CID 50795417) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
PubChem CID50795417
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
SMILESCC(C)Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C
InChIInChI=1S/C15H25N7O/c1-11(2)17-13-12-10-16-20(3)14(12)19-15(18-13)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyFECJTEPAEJYTJY-UHFFFAOYSA-N
XLogP0.30
TPSA82.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol 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 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol (CID 50795417) is 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol is CC(C)Nc1nc(N2CCN(CCO)CC2)nc2c1cnn2C.
What is the InChIKey of 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
The InChIKey is FECJTEPAEJYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O/c1-11(2)17-13-12-10-16-20(3)14(12)19-15(18-13)22-6-4-21(5-7-22)8-9-23/h10-11,23H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol?
2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol has a molecular weight of 319.41 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 50795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).