7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C25H24N8O — CID 15958078

IUPAC7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)ccn1
InChIInChI=1S/C25H24N8O/c1-2-4-19(5-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-6-8-20(9-7-18)34-16-17-10-12-26-13-11-17/h6-15,19H,1-5,16H2,(H,29,30,31,32)
InChIKeyMCJRXWDCZAYKLU-UHFFFAOYSA-N
MW452.52 g/mol
LogP4.60
Rot. Bonds6

About 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine

7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 15958078) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID15958078
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)ccn1
InChIInChI=1S/C25H24N8O/c1-2-4-19(5-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-6-8-20(9-7-18)34-16-17-10-12-26-13-11-17/h6-15,19H,1-5,16H2,(H,29,30,31,32)
InChIKeyMCJRXWDCZAYKLU-UHFFFAOYSA-N
XLogP4.60
TPSA106.77 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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 15958078) is 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is c1cc(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)ccn1.
What is the InChIKey of 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MCJRXWDCZAYKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-2-4-19(5-3-1)23-21(14-27-25-22(15-28-33(23)25)24-29-31-32-30-24)18-6-8-20(9-7-18)34-16-17-10-12-26-13-11-17/h6-15,19H,1-5,16H2,(H,29,30,31,32).
What are the key properties of 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 452.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-[4-(pyridin-4-ylmethoxy)phenyl]-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15958078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).