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

C16H13FN6O — CID 134326851

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)
InChIKeyCGNKHHSWDZOKRN-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.57
Rot. Bonds3

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

5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine (PubChem CID 134326851) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
PubChem CID134326851
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1
InChIInChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)
InChIKeyCGNKHHSWDZOKRN-UHFFFAOYSA-N
XLogP2.57
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine (CID 134326851) is 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine is COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is CGNKHHSWDZOKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine?
5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 324.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 134326851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).