5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole

C25H26N8OS — CID 15958036

IUPAC5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)s1
InChIInChI=1S/C25H26N8OS/c1-15-22(35-16(2)28-15)14-34-19-10-8-17(9-11-19)20-12-26-25-21(24-29-31-32-30-24)13-27-33(25)23(20)18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,29,30,31,32)
InChIKeyAFJVLXCRQAXWRT-UHFFFAOYSA-N
MW486.61 g/mol
LogP5.28
Rot. Bonds6

About 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole

5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 15958036) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID15958036
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)s1
InChIInChI=1S/C25H26N8OS/c1-15-22(35-16(2)28-15)14-34-19-10-8-17(9-11-19)20-12-26-25-21(24-29-31-32-30-24)13-27-33(25)23(20)18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,29,30,31,32)
InChIKeyAFJVLXCRQAXWRT-UHFFFAOYSA-N
XLogP5.28
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole (CID 15958036) is 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(COc2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)s1.
What is the InChIKey of 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is AFJVLXCRQAXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS/c1-15-22(35-16(2)28-15)14-34-19-10-8-17(9-11-19)20-12-26-25-21(24-29-31-32-30-24)13-27-33(25)23(20)18-6-4-3-5-7-18/h8-13,18H,3-7,14H2,1-2H3,(H,29,30,31,32).
What are the key properties of 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 486.61 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 15958036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).