3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

C26H26N4O2 — CID 142295559

IUPAC3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nc3c(C4=CCCCC4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C26H26N4O2/c1-17-22(19-12-14-20(31-2)15-13-19)26(32-3)30-25(28-17)23(18-9-5-4-6-10-18)24(29-30)21-11-7-8-16-27-21/h7-9,11-16H,4-6,10H2,1-3H3
InChIKeyQAYRHNXLSNZTMB-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.74
Rot. Bonds5

About 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine

3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 142295559) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID142295559
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nc3c(C4=CCCCC4)c(-c4ccccn4)nn3c2OC)cc1
InChIInChI=1S/C26H26N4O2/c1-17-22(19-12-14-20(31-2)15-13-19)26(32-3)30-25(28-17)23(18-9-5-4-6-10-18)24(29-30)21-11-7-8-16-27-21/h7-9,11-16H,4-6,10H2,1-3H3
InChIKeyQAYRHNXLSNZTMB-UHFFFAOYSA-N
XLogP5.74
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine (CID 142295559) is 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nc3c(C4=CCCCC4)c(-c4ccccn4)nn3c2OC)cc1.
What is the InChIKey of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QAYRHNXLSNZTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-22(19-12-14-20(31-2)15-13-19)26(32-3)30-25(28-17)23(18-9-5-4-6-10-18)24(29-30)21-11-7-8-16-27-21/h7-9,11-16H,4-6,10H2,1-3H3.
What are the key properties of 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine?
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 426.52 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142295559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).