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

C24H27F4N3O — CID 25159920

IUPAC7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cnn(C)c12
InChIInChI=1S/C24H27F4N3O/c1-16(21-13-19(24(26,27)28)12-17-14-29-31(3)22(17)21)32-15-23(8-10-30(2)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3
InChIKeyYHXDIMNIFDZXEQ-UHFFFAOYSA-N
MW449.49 g/mol
LogP5.47
Rot. Bonds5

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

7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole (PubChem CID 25159920) has the molecular formula C24H27F4N3O and a molecular weight of 449.49 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
PubChem CID25159920
Molecular FormulaC24H27F4N3O
Molecular Weight449.49 g/mol
Exact Mass449.21
IUPAC Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cnn(C)c12
InChIInChI=1S/C24H27F4N3O/c1-16(21-13-19(24(26,27)28)12-17-14-29-31(3)22(17)21)32-15-23(8-10-30(2)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3
InChIKeyYHXDIMNIFDZXEQ-UHFFFAOYSA-N
XLogP5.47
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole (CID 25159920) is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cnn(C)c12.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The InChIKey is YHXDIMNIFDZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O/c1-16(21-13-19(24(26,27)28)12-17-14-29-31(3)22(17)21)32-15-23(8-10-30(2)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3.
What are the key properties of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole has a molecular weight of 449.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).