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

C23H25F4N3O — CID 25160047

IUPAC7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-28-29-21(16)20)31-14-22(7-9-30(2)10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,28,29)
InChIKeyAOYBXEMIUAKPFR-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.46
Rot. Bonds5

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

7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole (PubChem CID 25160047) has the molecular formula C23H25F4N3O and a molecular weight of 435.47 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
PubChem CID25160047
Molecular FormulaC23H25F4N3O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cn[nH]c12
InChIInChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-28-29-21(16)20)31-14-22(7-9-30(2)10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,28,29)
InChIKeyAOYBXEMIUAKPFR-UHFFFAOYSA-N
XLogP5.46
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.46
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-(trifluoromethyl)-1H-indazole?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole (CID 25160047) is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cn[nH]c12.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
The InChIKey is AOYBXEMIUAKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-28-29-21(16)20)31-14-22(7-9-30(2)10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,28,29).
What are the key properties of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole?
7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole has a molecular weight of 435.47 g/mol, XLogP of 5.46, 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-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 25160047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).