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

C25H26FN5O — CID 134327982

IUPAC5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1
InChIInChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-20(26)24(23)21-15-19-22(16-27-21)28-29-25(19)17-7-9-18(10-8-17)31-13-11-30(2)12-14-31/h4-10,15-16H,3,11-14H2,1-2H3,(H,28,29)
InChIKeyBSEAJGNGWPVOQG-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.58
Rot. Bonds5

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

5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 134327982) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID134327982
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1
InChIInChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-20(26)24(23)21-15-19-22(16-27-21)28-29-25(19)17-7-9-18(10-8-17)31-13-11-30(2)12-14-31/h4-10,15-16H,3,11-14H2,1-2H3,(H,28,29)
InChIKeyBSEAJGNGWPVOQG-UHFFFAOYSA-N
XLogP4.58
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine (CID 134327982) is 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is CCOc1cccc(F)c1-c1cc2c(-c3ccc(N4CCN(C)CC4)cc3)n[nH]c2cn1.
What is the InChIKey of 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BSEAJGNGWPVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-3-32-23-6-4-5-20(26)24(23)21-15-19-22(16-27-21)28-29-25(19)17-7-9-18(10-8-17)31-13-11-30(2)12-14-31/h4-10,15-16H,3,11-14H2,1-2H3,(H,28,29).
What are the key properties of 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine?
5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 431.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-6-fluorophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 134327982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).