2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol

C22H22N4O2 — CID 4904939

IUPAC2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C22H22N4O2/c27-12-14-28-13-11-23-21-15-20(18-9-5-2-6-10-18)25-22-19(16-24-26(21)22)17-7-3-1-4-8-17/h1-10,15-16,23,27H,11-14H2
InChIKeyLATBTIFQBNNMHG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.48
Rot. Bonds8

About 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol

2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol (PubChem CID 4904939) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
PubChem CID4904939
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C22H22N4O2/c27-12-14-28-13-11-23-21-15-20(18-9-5-2-6-10-18)25-22-19(16-24-26(21)22)17-7-3-1-4-8-17/h1-10,15-16,23,27H,11-14H2
InChIKeyLATBTIFQBNNMHG-UHFFFAOYSA-N
XLogP3.48
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol (CID 4904939) is 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol is OCCOCCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol?
The InChIKey is LATBTIFQBNNMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-12-14-28-13-11-23-21-15-20(18-9-5-2-6-10-18)25-22-19(16-24-26(21)22)17-7-3-1-4-8-17/h1-10,15-16,23,27H,11-14H2.
What are the key properties of 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol?
2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol has a molecular weight of 374.44 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 4904939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).