5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole

C22H25F2N3O — CID 25160323

IUPAC5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C22H25F2N3O/c1-15(20-12-19(24)11-16-13-25-26-21(16)20)28-14-22(7-9-27(2)10-8-22)17-3-5-18(23)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyASMLIZFSOCJOSO-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.58
Rot. Bonds5

About 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole

5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (PubChem CID 25160323) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.

Molecular Properties

Compound Name5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
PubChem CID25160323
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(F)cc2cn[nH]c12
InChIInChI=1S/C22H25F2N3O/c1-15(20-12-19(24)11-16-13-25-26-21(16)20)28-14-22(7-9-27(2)10-8-22)17-3-5-18(23)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,26)
InChIKeyASMLIZFSOCJOSO-UHFFFAOYSA-N
XLogP4.58
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The IUPAC name of 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (CID 25160323) is 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.
What is the SMILES notation for 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The canonical SMILES for 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(F)cc2cn[nH]c12.
What is the InChIKey of 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The InChIKey is ASMLIZFSOCJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-15(20-12-19(24)11-16-13-25-26-21(16)20)28-14-22(7-9-27(2)10-8-22)17-3-5-18(23)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,25,26).
What are the key properties of 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole has a molecular weight of 385.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is sourced from PubChem (CID 25160323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).