1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

C16H25N5O — CID 56893454

IUPAC1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCn1ncc2c(N3CCCC(C)(O)C3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-15(2,3)14-18-12-11(9-17-20(12)5)13(19-14)21-8-6-7-16(4,22)10-21/h9,22H,6-8,10H2,1-5H3
InChIKeyWUDHIJMPWSZLIR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.01
Rot. Bonds1

About 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol

1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 56893454) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID56893454
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCn1ncc2c(N3CCCC(C)(O)C3)nc(C(C)(C)C)nc21
InChIInChI=1S/C16H25N5O/c1-15(2,3)14-18-12-11(9-17-20(12)5)13(19-14)21-8-6-7-16(4,22)10-21/h9,22H,6-8,10H2,1-5H3
InChIKeyWUDHIJMPWSZLIR-UHFFFAOYSA-N
XLogP2.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 56893454) is 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is Cn1ncc2c(N3CCCC(C)(O)C3)nc(C(C)(C)C)nc21.
What is the InChIKey of 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is WUDHIJMPWSZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-15(2,3)14-18-12-11(9-17-20(12)5)13(19-14)21-8-6-7-16(4,22)10-21/h9,22H,6-8,10H2,1-5H3.
What are the key properties of 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol?
1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 303.41 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 56893454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).