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

C22H23FN6 — CID 134327745

IUPAC5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCN2C)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6/c1-13-7-14(20-5-4-6-28(20)2)8-17(23)21(13)18-9-16-19(11-24-18)26-27-22(16)15-10-25-29(3)12-15/h7-12,20H,4-6H2,1-3H3,(H,26,27)
InChIKeyXMUGCHHXPUUEPO-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.24
Rot. Bonds3

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

5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134327745) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID134327745
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCc1cc(C2CCCN2C)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1
InChIInChI=1S/C22H23FN6/c1-13-7-14(20-5-4-6-28(20)2)8-17(23)21(13)18-9-16-19(11-24-18)26-27-22(16)15-10-25-29(3)12-15/h7-12,20H,4-6H2,1-3H3,(H,26,27)
InChIKeyXMUGCHHXPUUEPO-UHFFFAOYSA-N
XLogP4.24
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 134327745) is 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cc1cc(C2CCCN2C)cc(F)c1-c1cc2c(-c3cnn(C)c3)n[nH]c2cn1.
What is the InChIKey of 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XMUGCHHXPUUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-13-7-14(20-5-4-6-28(20)2)8-17(23)21(13)18-9-16-19(11-24-18)26-27-22(16)15-10-25-29(3)12-15/h7-12,20H,4-6H2,1-3H3,(H,26,27).
What are the key properties of 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 390.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134327745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).