1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine

C25H26FN5O — CID 175820272

IUPAC1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine
SMILESCCOc1cccc(F)c1-n1nc(-c2ccc(N3CCN(C)CC3)cc2)c2ccncc21
InChIInChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-21(26)25(23)31-22-17-27-12-11-20(22)24(28-31)18-7-9-19(10-8-18)30-15-13-29(2)14-16-30/h4-12,17H,3,13-16H2,1-2H3
InChIKeyLKYDTQKEIYNJSD-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.38
Rot. Bonds5

About 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine

1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine (PubChem CID 175820272) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine
PubChem CID175820272
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine
SMILESCCOc1cccc(F)c1-n1nc(-c2ccc(N3CCN(C)CC3)cc2)c2ccncc21
InChIInChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-21(26)25(23)31-22-17-27-12-11-20(22)24(28-31)18-7-9-19(10-8-18)30-15-13-29(2)14-16-30/h4-12,17H,3,13-16H2,1-2H3
InChIKeyLKYDTQKEIYNJSD-UHFFFAOYSA-N
XLogP4.38
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-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 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine (CID 175820272) is 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine is CCOc1cccc(F)c1-n1nc(-c2ccc(N3CCN(C)CC3)cc2)c2ccncc21.
What is the InChIKey of 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine?
The InChIKey is LKYDTQKEIYNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-21(26)25(23)31-22-17-27-12-11-20(22)24(28-31)18-7-9-19(10-8-18)30-15-13-29(2)14-16-30/h4-12,17H,3,13-16H2,1-2H3.
What are the key properties of 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine?
1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine has a molecular weight of 431.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 175820272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).