7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C22H18N4O4 — CID 136866386

IUPAC7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cnc3c(C#N)cnn3c2-c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C22H18N4O4/c1-28-15-6-4-13(5-7-15)17-12-24-22-14(10-23)11-25-26(22)21(17)20-18(27)8-16(29-2)9-19(20)30-3/h4-9,11-12,27H,1-3H3
InChIKeyYUWDSELJFRTGOE-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.67
Rot. Bonds5

About 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 136866386) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID136866386
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cnc3c(C#N)cnn3c2-c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C22H18N4O4/c1-28-15-6-4-13(5-7-15)17-12-24-22-14(10-23)11-25-26(22)21(17)20-18(27)8-16(29-2)9-19(20)30-3/h4-9,11-12,27H,1-3H3
InChIKeyYUWDSELJFRTGOE-UHFFFAOYSA-N
XLogP3.67
TPSA101.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 136866386) is 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2cnc3c(C#N)cnn3c2-c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YUWDSELJFRTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-28-15-6-4-13(5-7-15)17-12-24-22-14(10-23)11-25-26(22)21(17)20-18(27)8-16(29-2)9-19(20)30-3/h4-9,11-12,27H,1-3H3.
What are the key properties of 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 402.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-4,6-dimethoxyphenyl)-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 136866386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).