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

C25H26FN5O — CID 162665862

IUPAC6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C25H26FN5O/c1-3-32-24-6-4-5-21(26)25(24)22-15-23-18(16-27-22)17-28-31(23)20-9-7-19(8-10-20)30-13-11-29(2)12-14-30/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeyZFVVLRKGBSGQGQ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.38
Rot. Bonds5

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

6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (PubChem CID 162665862) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
PubChem CID162665862
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
SMILESCCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C25H26FN5O/c1-3-32-24-6-4-5-21(26)25(24)22-15-23-18(16-27-22)17-28-31(23)20-9-7-19(8-10-20)30-13-11-29(2)12-14-30/h4-10,15-17H,3,11-14H2,1-2H3
InChIKeyZFVVLRKGBSGQGQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine (CID 162665862) is 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is CCOc1cccc(F)c1-c1cc2c(cn1)cnn2-c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
The InChIKey is ZFVVLRKGBSGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-3-32-24-6-4-5-21(26)25(24)22-15-23-18(16-27-22)17-28-31(23)20-9-7-19(8-10-20)30-13-11-29(2)12-14-30/h4-10,15-17H,3,11-14H2,1-2H3.
What are the key properties of 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine?
6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-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 6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 162665862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).