2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol

C20H20N4O — CID 168901593

IUPAC2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1cn2cc(C#CCC3CCNCC3)cnc2n1
InChIInChI=1S/C20H20N4O/c25-19-7-2-1-6-17(19)18-14-24-13-16(12-22-20(24)23-18)5-3-4-15-8-10-21-11-9-15/h1-2,6-7,12-15,21,25H,4,8-11H2
InChIKeyKSQDDOYFDVNRJZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.84
Rot. Bonds2

About 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol

2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 168901593) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID168901593
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1cn2cc(C#CCC3CCNCC3)cnc2n1
InChIInChI=1S/C20H20N4O/c25-19-7-2-1-6-17(19)18-14-24-13-16(12-22-20(24)23-18)5-3-4-15-8-10-21-11-9-15/h1-2,6-7,12-15,21,25H,4,8-11H2
InChIKeyKSQDDOYFDVNRJZ-UHFFFAOYSA-N
XLogP2.84
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 168901593) is 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol is Oc1ccccc1-c1cn2cc(C#CCC3CCNCC3)cnc2n1.
What is the InChIKey of 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is KSQDDOYFDVNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19-7-2-1-6-17(19)18-14-24-13-16(12-22-20(24)23-18)5-3-4-15-8-10-21-11-9-15/h1-2,6-7,12-15,21,25H,4,8-11H2.
What are the key properties of 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol?
2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 332.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-piperidin-4-ylprop-1-ynyl)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 168901593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).