2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

C17H18Cl2N6O — CID 7205430

IUPAC2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N6O/c18-14-2-1-12(9-15(14)19)25-17-13(10-22-25)16(20-11-21-17)24-5-3-23(4-6-24)7-8-26/h1-2,9-11,26H,3-8H2
InChIKeyBRUYPIFCUHZMCK-UHFFFAOYSA-N
MW393.28 g/mol
LogP2.24
Rot. Bonds4

About 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 7205430) has the molecular formula C17H18Cl2N6O and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID7205430
Molecular FormulaC17H18Cl2N6O
Molecular Weight393.28 g/mol
Exact Mass392.09
IUPAC Name2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H18Cl2N6O/c18-14-2-1-12(9-15(14)19)25-17-13(10-22-25)16(20-11-21-17)24-5-3-23(4-6-24)7-8-26/h1-2,9-11,26H,3-8H2
InChIKeyBRUYPIFCUHZMCK-UHFFFAOYSA-N
XLogP2.24
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 7205430) is 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is BRUYPIFCUHZMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6O/c18-14-2-1-12(9-15(14)19)25-17-13(10-22-25)16(20-11-21-17)24-5-3-23(4-6-24)7-8-26/h1-2,9-11,26H,3-8H2.
What are the key properties of 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 393.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3,4-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 7205430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).