2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C22H20FN3O4 — CID 162675576

IUPAC2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F
InChIInChI=1S/C22H20FN3O4/c1-27-18-6-5-13(9-15(18)23)16-12-21-24-8-7-17(26(21)25-16)14-10-19(28-2)22(30-4)20(11-14)29-3/h5-12H,1-4H3
InChIKeyRWHRXCZEDBGPMT-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.24
Rot. Bonds6

About 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162675576) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162675576
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F
InChIInChI=1S/C22H20FN3O4/c1-27-18-6-5-13(9-15(18)23)16-12-21-24-8-7-17(26(21)25-16)14-10-19(28-2)22(30-4)20(11-14)29-3/h5-12H,1-4H3
InChIKeyRWHRXCZEDBGPMT-UHFFFAOYSA-N
XLogP4.24
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162675576) is 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RWHRXCZEDBGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-27-18-6-5-13(9-15(18)23)16-12-21-24-8-7-17(26(21)25-16)14-10-19(28-2)22(30-4)20(11-14)29-3/h5-12H,1-4H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 409.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162675576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).