2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C21H19FN4O3 — CID 46943962

IUPAC2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3nc(-c4ccc(F)cc4)cc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19FN4O3/c1-27-17-10-15(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,23,24)
InChIKeyCYWYCWUVBFVQQT-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46943962) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46943962
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3nc(-c4ccc(F)cc4)cc3n2)cc(OC)c1OC
InChIInChI=1S/C21H19FN4O3/c1-27-17-10-15(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,23,24)
InChIKeyCYWYCWUVBFVQQT-UHFFFAOYSA-N
XLogP4.30
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 46943962) is 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Nc2ccn3nc(-c4ccc(F)cc4)cc3n2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CYWYCWUVBFVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-27-17-10-15(11-18(28-2)21(17)29-3)23-19-8-9-26-20(24-19)12-16(25-26)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 394.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46943962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).