6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C20H18N4O — CID 50997746

IUPAC6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)Oc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1
InChIInChI=1S/C20H18N4O/c1-14(2)25-18-5-3-15(4-6-18)17-11-22-20-19(12-23-24(20)13-17)16-7-9-21-10-8-16/h3-14H,1-2H3
InChIKeyQBANENJDMOUUJE-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds4

About 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 50997746) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID50997746
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)Oc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1
InChIInChI=1S/C20H18N4O/c1-14(2)25-18-5-3-15(4-6-18)17-11-22-20-19(12-23-24(20)13-17)16-7-9-21-10-8-16/h3-14H,1-2H3
InChIKeyQBANENJDMOUUJE-UHFFFAOYSA-N
XLogP4.25
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 50997746) is 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CC(C)Oc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1.
What is the InChIKey of 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QBANENJDMOUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14(2)25-18-5-3-15(4-6-18)17-11-22-20-19(12-23-24(20)13-17)16-7-9-21-10-8-16/h3-14H,1-2H3.
What are the key properties of 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50997746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).