2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol

C20H26N6O — CID 7216401

IUPAC2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
SMILESCn1ncc2c(N3CCCCC3)nc(N(CCO)Cc3ccccc3)nc21
InChIInChI=1S/C20H26N6O/c1-24-18-17(14-21-24)19(25-10-6-3-7-11-25)23-20(22-18)26(12-13-27)15-16-8-4-2-5-9-16/h2,4-5,8-9,14,27H,3,6-7,10-13,15H2,1H3
InChIKeyCYFYQEJSARPDGB-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.35
Rot. Bonds6

About 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol

2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol (PubChem CID 7216401) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
PubChem CID7216401
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
SMILESCn1ncc2c(N3CCCCC3)nc(N(CCO)Cc3ccccc3)nc21
InChIInChI=1S/C20H26N6O/c1-24-18-17(14-21-24)19(25-10-6-3-7-11-25)23-20(22-18)26(12-13-27)15-16-8-4-2-5-9-16/h2,4-5,8-9,14,27H,3,6-7,10-13,15H2,1H3
InChIKeyCYFYQEJSARPDGB-UHFFFAOYSA-N
XLogP2.35
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol (CID 7216401) is 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol is Cn1ncc2c(N3CCCCC3)nc(N(CCO)Cc3ccccc3)nc21.
What is the InChIKey of 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?
The InChIKey is CYFYQEJSARPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-24-18-17(14-21-24)19(25-10-6-3-7-11-25)23-20(22-18)26(12-13-27)15-16-8-4-2-5-9-16/h2,4-5,8-9,14,27H,3,6-7,10-13,15H2,1H3.
What are the key properties of 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol?
2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol has a molecular weight of 366.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol is sourced from PubChem (CID 7216401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).