6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H11ClF2N4O — CID 146636597

IUPAC6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C11H11ClF2N4O/c12-10-16-8-7(9(19)17-10)5-15-18(8)6-1-3-11(13,14)4-2-6/h5-6H,1-4H2,(H,16,17,19)
InChIKeyLZQICZFUTMYPOS-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.52
Rot. Bonds1

About 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 146636597) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID146636597
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC Name6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C11H11ClF2N4O/c12-10-16-8-7(9(19)17-10)5-15-18(8)6-1-3-11(13,14)4-2-6/h5-6H,1-4H2,(H,16,17,19)
InChIKeyLZQICZFUTMYPOS-UHFFFAOYSA-N
XLogP2.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylmethyl)-1-(1-ethylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135422930
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
[7-(6-Amino-4-oxo-4,5-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl)-1,1-difluoro-heptyl]-phosphonic acid
CID 135430577
6-(Cyclohexylmethyl)-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135407177
6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135484677
1-tert-butyl-6-chloro-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135988482
1-cyclopropyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136559906
6-[(2-ethylpiperidin-1-yl)methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136051610
5-Amino-1-(4,4-difluorocyclohexyl)-1h-pyrazole-4-carboxamide
CID 57556247
5-Amino-1-(4-fluorocyclohexyl)pyrazole-4-carboxamide
CID 69748058
1-Methyl-5-(4,4,4-trifluorobutylamino)pyrazole-4-carboxamide
CID 118141044
1-(4,4-Difluorocyclohexyl)-5-(methylamino)pyrazole-4-carboxamide
CID 130286856

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 146636597) is 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2c1cnn2C1CCC(F)(F)CC1.
What is the InChIKey of 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LZQICZFUTMYPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c12-10-16-8-7(9(19)17-10)5-15-18(8)6-1-3-11(13,14)4-2-6/h5-6H,1-4H2,(H,16,17,19).
What are the key properties of 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 288.69 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146636597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).