4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol

C24H24N4O4 — CID 52944268

IUPAC4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1O
InChIInChI=1S/C24H24N4O4/c29-22-6-3-18(13-23(22)30)21-15-26-28-16-19(14-25-24(21)28)17-1-4-20(5-2-17)32-12-9-27-7-10-31-11-8-27/h1-6,13-16,29-30H,7-12H2
InChIKeyXGLLCMUCSWPKPD-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.19
Rot. Bonds6

About 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol

4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol (PubChem CID 52944268) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol
PubChem CID52944268
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1O
InChIInChI=1S/C24H24N4O4/c29-22-6-3-18(13-23(22)30)21-15-26-28-16-19(14-25-24(21)28)17-1-4-20(5-2-17)32-12-9-27-7-10-31-11-8-27/h1-6,13-16,29-30H,7-12H2
InChIKeyXGLLCMUCSWPKPD-UHFFFAOYSA-N
XLogP3.19
TPSA92.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol?
The IUPAC name of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol (CID 52944268) is 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol?
The canonical SMILES for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol is Oc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1O.
What is the InChIKey of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol?
The InChIKey is XGLLCMUCSWPKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-22-6-3-18(13-23(22)30)21-15-26-28-16-19(14-25-24(21)28)17-1-4-20(5-2-17)32-12-9-27-7-10-31-11-8-27/h1-6,13-16,29-30H,7-12H2.
What are the key properties of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol?
4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol has a molecular weight of 432.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzene-1,2-diol is sourced from PubChem (CID 52944268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).