3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

C25H26N4O — CID 44577720

IUPAC3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-21(8-4-1)24-18-27-29-19-22(17-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyNYPRZIZRFTTZLT-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.93
Rot. Bonds6

About 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 44577720) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID44577720
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-21(8-4-1)24-18-27-29-19-22(17-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyNYPRZIZRFTTZLT-UHFFFAOYSA-N
XLogP4.93
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]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-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 44577720) is 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1.
What is the InChIKey of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is NYPRZIZRFTTZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-7-21(8-4-1)24-18-27-29-19-22(17-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2.
What are the key properties of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 398.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 44577720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).