3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine

C21H17FN4O — CID 134326602

IUPAC3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C4CC4)cc3)c2n1
InChIInChI=1S/C21H17FN4O/c1-27-17-4-2-3-15(22)18(17)21-23-11-16-20(24-21)19(26-25-16)14-9-7-13(8-10-14)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,25,26)
InChIKeyUQPZBPGYDZUJNG-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.71
Rot. Bonds4

About 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine

3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326602) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326602
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C4CC4)cc3)c2n1
InChIInChI=1S/C21H17FN4O/c1-27-17-4-2-3-15(22)18(17)21-23-11-16-20(24-21)19(26-25-16)14-9-7-13(8-10-14)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,25,26)
InChIKeyUQPZBPGYDZUJNG-UHFFFAOYSA-N
XLogP4.71
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine (CID 134326602) is 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3ccc(C4CC4)cc3)c2n1.
What is the InChIKey of 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is UQPZBPGYDZUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-27-17-4-2-3-15(22)18(17)21-23-11-16-20(24-21)19(26-25-16)14-9-7-13(8-10-14)12-5-6-12/h2-4,7-12H,5-6H2,1H3,(H,25,26).
What are the key properties of 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine?
3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 360.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylphenyl)-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).