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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Related Compounds

2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetic acid
CID 155281171
2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione
CID 155281348
2-(2,6-dioxopiperidin-3-yl)-5-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione
CID 155281237
N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetamide
CID 167319741
2-(2,6-dioxopiperidin-3-yl)-4-[[5-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione
CID 155281345
N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetamide
CID 155281607
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
3,5-diphenyl-1H-pyrazolo[4,3-d]pyrimidine;ethane
CID 159273056
3-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-1H-pyrazolo[4,3-d]pyrimidine
CID 134327006
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102
(2S,4R)-1-[(2S)-2-[8-[[2-[4-[4-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]phenyl]piperazin-1-yl]acetyl]amino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155281385
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064

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).