tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

C17H26N6O2 — CID 156555085

IUPACtert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O2/c1-11-19-14-13(10-18-22(14)5)15(20-11)23-8-6-12(7-9-23)21-16(24)25-17(2,3)4/h10,12H,6-9H2,1-5H3,(H,21,24)
InChIKeyTWWJNRZFRFFOJN-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 156555085) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID156555085
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Nametert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H26N6O2/c1-11-19-14-13(10-18-22(14)5)15(20-11)23-8-6-12(7-9-23)21-16(24)25-17(2,3)4/h10,12H,6-9H2,1-5H3,(H,21,24)
InChIKeyTWWJNRZFRFFOJN-UHFFFAOYSA-N
XLogP2.17
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate (CID 156555085) is tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate is Cc1nc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cnn(C)c2n1.
What is the InChIKey of tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is TWWJNRZFRFFOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11-19-14-13(10-18-22(14)5)15(20-11)23-8-6-12(7-9-23)21-16(24)25-17(2,3)4/h10,12H,6-9H2,1-5H3,(H,21,24).
What are the key properties of tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 346.44 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 156555085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).