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

C22H23FN6 — CID 134328121

IUPAC5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6/c1-13-7-14(18-5-3-4-6-24-18)8-17(23)21(13)19-9-16-20(11-25-19)27-28-22(16)15-10-26-29(2)12-15/h7-12,18,24H,3-6H2,1-2H3,(H,27,28)
InChIKeyDKZQBBQDMRTBDM-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.29
Rot. Bonds3

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

5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134328121) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID134328121
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6/c1-13-7-14(18-5-3-4-6-24-18)8-17(23)21(13)19-9-16-20(11-25-19)27-28-22(16)15-10-26-29(2)12-15/h7-12,18,24H,3-6H2,1-2H3,(H,27,28)
InChIKeyDKZQBBQDMRTBDM-UHFFFAOYSA-N
XLogP4.29
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.29
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-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 134328121) is 5-(2-fluoro-6-methyl-4-piperidin-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-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1cc(C2CCCCN2)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of 5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DKZQBBQDMRTBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-13-7-14(18-5-3-4-6-24-18)8-17(23)21(13)19-9-16-20(11-25-19)27-28-22(16)15-10-26-29(2)12-15/h7-12,18,24H,3-6H2,1-2H3,(H,27,28).
What are the key properties of 5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
5-(2-fluoro-6-methyl-4-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 390.47 g/mol, XLogP of 4.29, 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-piperidin-2-ylphenyl)-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134328121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).