2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol

C17H27N5O — CID 56899128

IUPAC2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCn1ncc2c(N3CCC(CCO)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C17H27N5O/c1-17(2,3)16-19-14-13(11-18-21(14)4)15(20-16)22-8-5-12(6-9-22)7-10-23/h11-12,23H,5-10H2,1-4H3
InChIKeyRNEUNMSNDZLXPO-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.26
Rot. Bonds3

About 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol

2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol (PubChem CID 56899128) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
PubChem CID56899128
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol
SMILESCn1ncc2c(N3CCC(CCO)CC3)nc(C(C)(C)C)nc21
InChIInChI=1S/C17H27N5O/c1-17(2,3)16-19-14-13(11-18-21(14)4)15(20-16)22-8-5-12(6-9-22)7-10-23/h11-12,23H,5-10H2,1-4H3
InChIKeyRNEUNMSNDZLXPO-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol (CID 56899128) is 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol is Cn1ncc2c(N3CCC(CCO)CC3)nc(C(C)(C)C)nc21.
What is the InChIKey of 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is RNEUNMSNDZLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-17(2,3)16-19-14-13(11-18-21(14)4)15(20-16)22-8-5-12(6-9-22)7-10-23/h11-12,23H,5-10H2,1-4H3.
What are the key properties of 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol?
2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 317.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 56899128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).