[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol

C16H25N5O — CID 70767674

IUPAC[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C16H25N5O/c1-4-6-16(10-22)7-5-8-21(9-16)15-13-12(2)19-20(3)14(13)17-11-18-15/h11,22H,4-10H2,1-3H3
InChIKeyPLCCFOOIXHHGFL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.05
Rot. Bonds4

About [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol

[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol (PubChem CID 70767674) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol
PubChem CID70767674
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(c2ncnc3c2c(C)nn3C)C1
InChIInChI=1S/C16H25N5O/c1-4-6-16(10-22)7-5-8-21(9-16)15-13-12(2)19-20(3)14(13)17-11-18-15/h11,22H,4-10H2,1-3H3
InChIKeyPLCCFOOIXHHGFL-UHFFFAOYSA-N
XLogP2.05
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol (CID 70767674) is [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol is CCCC1(CO)CCCN(c2ncnc3c2c(C)nn3C)C1.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol?
The InChIKey is PLCCFOOIXHHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-6-16(10-22)7-5-8-21(9-16)15-13-12(2)19-20(3)14(13)17-11-18-15/h11,22H,4-10H2,1-3H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol?
[1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol has a molecular weight of 303.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 70767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).