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

C25H23N7O2 — CID 15958055

IUPAC7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCOCC3)cc2)cc1
InChIInChI=1S/C25H23N7O2/c1-2-4-17(5-3-1)16-34-20-8-6-18(7-9-20)21-14-26-25-22(24-28-30-31-29-24)15-27-32(25)23(21)19-10-12-33-13-11-19/h1-9,14-15,19H,10-13,16H2,(H,28,29,30,31)
InChIKeyNWKKTLWXJZNFSB-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.05
Rot. Bonds6

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

7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958055) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958055
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCOCC3)cc2)cc1
InChIInChI=1S/C25H23N7O2/c1-2-4-17(5-3-1)16-34-20-8-6-18(7-9-20)21-14-26-25-22(24-28-30-31-29-24)15-27-32(25)23(21)19-10-12-33-13-11-19/h1-9,14-15,19H,10-13,16H2,(H,28,29,30,31)
InChIKeyNWKKTLWXJZNFSB-UHFFFAOYSA-N
XLogP4.05
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958055) is 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1ccc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCOCC3)cc2)cc1.
What is the InChIKey of 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NWKKTLWXJZNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-2-4-17(5-3-1)16-34-20-8-6-18(7-9-20)21-14-26-25-22(24-28-30-31-29-24)15-27-32(25)23(21)19-10-12-33-13-11-19/h1-9,14-15,19H,10-13,16H2,(H,28,29,30,31).
What are the key properties of 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 453.51 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).