3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C20H20N6O2 — CID 162668590

IUPAC3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C20H20N6O2/c1-25-11-14(9-22-25)19-17(27-2)12-26-20(24-19)16(10-23-26)13-6-7-21-18(8-13)28-15-4-3-5-15/h6-12,15H,3-5H2,1-2H3
InChIKeyOORSHIMWGADFIS-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.13
Rot. Bonds5

About 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162668590) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID162668590
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C20H20N6O2/c1-25-11-14(9-22-25)19-17(27-2)12-26-20(24-19)16(10-23-26)13-6-7-21-18(8-13)28-15-4-3-5-15/h6-12,15H,3-5H2,1-2H3
InChIKeyOORSHIMWGADFIS-UHFFFAOYSA-N
XLogP3.13
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 162668590) is 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is COc1cn2ncc(-c3ccnc(OC4CCC4)c3)c2nc1-c1cnn(C)c1.
What is the InChIKey of 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OORSHIMWGADFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25-11-14(9-22-25)19-17(27-2)12-26-20(24-19)16(10-23-26)13-6-7-21-18(8-13)28-15-4-3-5-15/h6-12,15H,3-5H2,1-2H3.
What are the key properties of 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 376.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyloxy-4-pyridinyl)-6-methoxy-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162668590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).