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

C23H25F4N3O — CID 25159922

IUPAC7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(C(F)(F)F)cc2cnn(C)c12
InChIInChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-29-30(2)21(16)20)31-14-22(7-9-28-10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15,28H,7-10,14H2,1-2H3
InChIKeyMTRAIUYTQMUBSO-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.13
Rot. Bonds5

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

7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole (PubChem CID 25159922) has the molecular formula C23H25F4N3O and a molecular weight of 435.47 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
PubChem CID25159922
Molecular FormulaC23H25F4N3O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(C(F)(F)F)cc2cnn(C)c12
InChIInChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-29-30(2)21(16)20)31-14-22(7-9-28-10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15,28H,7-10,14H2,1-2H3
InChIKeyMTRAIUYTQMUBSO-UHFFFAOYSA-N
XLogP5.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole (CID 25159922) is 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole is CC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(C(F)(F)F)cc2cnn(C)c12.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
The InChIKey is MTRAIUYTQMUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O/c1-15(20-12-18(23(25,26)27)11-16-13-29-30(2)21(16)20)31-14-22(7-9-28-10-8-22)17-3-5-19(24)6-4-17/h3-6,11-13,15,28H,7-10,14H2,1-2H3.
What are the key properties of 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole?
7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole has a molecular weight of 435.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).