4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol

C16H21ClN4O3 — CID 90421200

IUPAC4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2nc(Cl)nc3c2cnn3C2CCCCO2)CC1
InChIInChI=1S/C16H21ClN4O3/c17-16-19-14-12(9-18-21(14)13-3-1-2-8-23-13)15(20-16)24-11-6-4-10(22)5-7-11/h9-11,13,22H,1-8H2
InChIKeyOKJYCRRPUGYBOO-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.86
Rot. Bonds3

About 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol

4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol (PubChem CID 90421200) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol
PubChem CID90421200
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol
SMILESOC1CCC(Oc2nc(Cl)nc3c2cnn3C2CCCCO2)CC1
InChIInChI=1S/C16H21ClN4O3/c17-16-19-14-12(9-18-21(14)13-3-1-2-8-23-13)15(20-16)24-11-6-4-10(22)5-7-11/h9-11,13,22H,1-8H2
InChIKeyOKJYCRRPUGYBOO-UHFFFAOYSA-N
XLogP2.86
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol 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 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol (CID 90421200) is 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol is OC1CCC(Oc2nc(Cl)nc3c2cnn3C2CCCCO2)CC1.
What is the InChIKey of 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
The InChIKey is OKJYCRRPUGYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c17-16-19-14-12(9-18-21(14)13-3-1-2-8-23-13)15(20-16)24-11-6-4-10(22)5-7-11/h9-11,13,22H,1-8H2.
What are the key properties of 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol?
4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol has a molecular weight of 352.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 90421200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).