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

C24H23N9O — CID 15958049

IUPAC6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCNCC3)cc2)cc1
InChIInChI=1S/C24H23N9O/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-26-23-21(22-28-30-31-29-22)15-27-33(23)24(20)32-12-10-25-11-13-32/h1-9,14-15,25H,10-13,16H2,(H,28,29,30,31)
InChIKeyQCVWSMOVSDSFOP-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.57
Rot. Bonds6

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

6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958049) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958049
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCNCC3)cc2)cc1
InChIInChI=1S/C24H23N9O/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-26-23-21(22-28-30-31-29-22)15-27-33(23)24(20)32-12-10-25-11-13-32/h1-9,14-15,25H,10-13,16H2,(H,28,29,30,31)
InChIKeyQCVWSMOVSDSFOP-UHFFFAOYSA-N
XLogP2.57
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958049) is 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3N3CCNCC3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QCVWSMOVSDSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-2-4-17(5-3-1)16-34-19-8-6-18(7-9-19)20-14-26-23-21(22-28-30-31-29-22)15-27-33(23)24(20)32-12-10-25-11-13-32/h1-9,14-15,25H,10-13,16H2,(H,28,29,30,31).
What are the key properties of 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 453.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-7-piperazin-1-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).