4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

C17H19N5O — CID 11722864

IUPAC4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ncc23)CC1
InChIInChI=1S/C17H19N5O/c23-13-8-6-12(7-9-13)19-16-14-10-18-22-17(14)21-15(20-16)11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,19,20,21,22)
InChIKeyMIFNFHFTFBRIQI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.74
Rot. Bonds3

About 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 11722864) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID11722864
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ncc23)CC1
InChIInChI=1S/C17H19N5O/c23-13-8-6-12(7-9-13)19-16-14-10-18-22-17(14)21-15(20-16)11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,19,20,21,22)
InChIKeyMIFNFHFTFBRIQI-UHFFFAOYSA-N
XLogP2.74
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol (CID 11722864) is 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(-c3ccccc3)nc3[nH]ncc23)CC1.
What is the InChIKey of 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is MIFNFHFTFBRIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-13-8-6-12(7-9-13)19-16-14-10-18-22-17(14)21-15(20-16)11-4-2-1-3-5-11/h1-5,10,12-13,23H,6-9H2,(H2,18,19,20,21,22).
What are the key properties of 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 11722864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).