1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C17H25N5O2 — CID 7118693

IUPAC1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)CC1
InChIInChI=1S/C17H25N5O2/c1-12-5-7-20(8-6-12)14(23)10-21-11-18-15-13(16(21)24)9-19-22(15)17(2,3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyDIOLCYXJHXLDMX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.61
Rot. Bonds2

About 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7118693) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7118693
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CCN(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)CC1
InChIInChI=1S/C17H25N5O2/c1-12-5-7-20(8-6-12)14(23)10-21-11-18-15-13(16(21)24)9-19-22(15)17(2,3)4/h9,11-12H,5-8,10H2,1-4H3
InChIKeyDIOLCYXJHXLDMX-UHFFFAOYSA-N
XLogP1.61
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 7118693) is 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is CC1CCN(C(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)CC1.
What is the InChIKey of 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DIOLCYXJHXLDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-5-7-20(8-6-12)14(23)10-21-11-18-15-13(16(21)24)9-19-22(15)17(2,3)4/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7118693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).