6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C25H24N8O — CID 15958052

IUPAC6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H24N8O/c1-3-7-18(8-4-1)17-34-20-11-9-19(10-12-20)21-15-26-24-22(23-28-30-31-29-23)16-27-33(24)25(21)32-13-5-2-6-14-32/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,28,29,30,31)
InChIKeyCZXPQLTUQPMRPJ-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.15
Rot. Bonds6

About 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958052) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958052
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H24N8O/c1-3-7-18(8-4-1)17-34-20-11-9-19(10-12-20)21-15-26-24-22(23-28-30-31-29-23)16-27-33(24)25(21)32-13-5-2-6-14-32/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,28,29,30,31)
InChIKeyCZXPQLTUQPMRPJ-UHFFFAOYSA-N
XLogP4.15
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-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 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958052) is 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCCCC3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CZXPQLTUQPMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-3-7-18(8-4-1)17-34-20-11-9-19(10-12-20)21-15-26-24-22(23-28-30-31-29-23)16-27-33(24)25(21)32-13-5-2-6-14-32/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,28,29,30,31).
What are the key properties of 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 452.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-7-piperidin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).