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

C23H28FN3O — CID 25160322

IUPAC7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2[nH]ncc2c1
InChIInChI=1S/C23H28FN3O/c1-16-12-18-14-25-26-22(18)21(13-16)17(2)28-15-23(8-10-27(3)11-9-23)19-4-6-20(24)7-5-19/h4-7,12-14,17H,8-11,15H2,1-3H3,(H,25,26)
InChIKeyIEWAOAFSHMRPAQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.75
Rot. Bonds5

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

7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole (PubChem CID 25160322) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole
PubChem CID25160322
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2[nH]ncc2c1
InChIInChI=1S/C23H28FN3O/c1-16-12-18-14-25-26-22(18)21(13-16)17(2)28-15-23(8-10-27(3)11-9-23)19-4-6-20(24)7-5-19/h4-7,12-14,17H,8-11,15H2,1-3H3,(H,25,26)
InChIKeyIEWAOAFSHMRPAQ-UHFFFAOYSA-N
XLogP4.75
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole (CID 25160322) is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole is Cc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2[nH]ncc2c1.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole?
The InChIKey is IEWAOAFSHMRPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-16-12-18-14-25-26-22(18)21(13-16)17(2)28-15-23(8-10-27(3)11-9-23)19-4-6-20(24)7-5-19/h4-7,12-14,17H,8-11,15H2,1-3H3,(H,25,26).
What are the key properties of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole?
7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole has a molecular weight of 381.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-methyl-1H-indazole is sourced from PubChem (CID 25160322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).