6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C11H13F2N5O — CID 138043405

IUPAC6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3[nH]ncc3c(=O)[nH]2)CCC1(F)F
InChIInChI=1S/C11H13F2N5O/c1-6-5-18(3-2-11(6,12)13)10-15-8-7(4-14-17-8)9(19)16-10/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17,19)
InChIKeyKNXYZPZHWBOVFJ-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.13
Rot. Bonds1

About 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138043405) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138043405
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3[nH]ncc3c(=O)[nH]2)CCC1(F)F
InChIInChI=1S/C11H13F2N5O/c1-6-5-18(3-2-11(6,12)13)10-15-8-7(4-14-17-8)9(19)16-10/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17,19)
InChIKeyKNXYZPZHWBOVFJ-UHFFFAOYSA-N
XLogP1.13
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 138043405) is 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC1CN(c2nc3[nH]ncc3c(=O)[nH]2)CCC1(F)F.
What is the InChIKey of 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KNXYZPZHWBOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c1-6-5-18(3-2-11(6,12)13)10-15-8-7(4-14-17-8)9(19)16-10/h4,6H,2-3,5H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 269.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoro-3-methylpiperidin-1-yl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138043405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).