1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H23N7O — CID 137261672

IUPAC1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC(n4cccn4)C3)nc21
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-13(10-19-24)15(25)21-16(20-14)22-8-4-6-12(11-22)23-9-5-7-18-23/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,20,21,25)
InChIKeyDNHQWIMVTDLHKZ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.91
Rot. Bonds2

About 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137261672) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137261672
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC(n4cccn4)C3)nc21
InChIInChI=1S/C17H23N7O/c1-17(2,3)24-14-13(10-19-24)15(25)21-16(20-14)22-8-4-6-12(11-22)23-9-5-7-18-23/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,20,21,25)
InChIKeyDNHQWIMVTDLHKZ-UHFFFAOYSA-N
XLogP1.91
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137261672) is 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(N3CCCC(n4cccn4)C3)nc21.
What is the InChIKey of 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DNHQWIMVTDLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-17(2,3)24-14-13(10-19-24)15(25)21-16(20-14)22-8-4-6-12(11-22)23-9-5-7-18-23/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,20,21,25).
What are the key properties of 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 341.42 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-(3-pyrazol-1-ylpiperidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137261672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).