5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C21H21FN6 — CID 134327806

IUPAC5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H21FN6/c1-12-6-13(17-4-3-5-23-17)7-16(22)20(12)18-8-15-19(10-24-18)26-27-21(15)14-9-25-28(2)11-14/h6-11,17,23H,3-5H2,1-2H3,(H,26,27)
InChIKeyQURIJRMKDDRSDB-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.90
Rot. Bonds3

About 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134327806) has the molecular formula C21H21FN6 and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID134327806
Molecular FormulaC21H21FN6
Molecular Weight376.44 g/mol
Exact Mass376.18
IUPAC Name5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C21H21FN6/c1-12-6-13(17-4-3-5-23-17)7-16(22)20(12)18-8-15-19(10-24-18)26-27-21(15)14-9-25-28(2)11-14/h6-11,17,23H,3-5H2,1-2H3,(H,26,27)
InChIKeyQURIJRMKDDRSDB-UHFFFAOYSA-N
XLogP3.90
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 134327806) is 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1cc(C2CCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is QURIJRMKDDRSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6/c1-12-6-13(17-4-3-5-23-17)7-16(22)20(12)18-8-15-19(10-24-18)26-27-21(15)14-9-25-28(2)11-14/h6-11,17,23H,3-5H2,1-2H3,(H,26,27).
What are the key properties of 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 376.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methyl-4-pyrrolidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134327806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).