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

C23H25F4N3O — CID 25159919

IUPAC7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F4N3O/c1-29-9-7-22(8-10-29,18-3-5-20(24)6-4-18)15-31-14-17-12-19(23(25,26)27)11-16-13-28-30(2)21(16)17/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyVXXYHBRRBSOTLI-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.91
Rot. Bonds5

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

7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole (PubChem CID 25159919) has the molecular formula C23H25F4N3O and a molecular weight of 435.47 g/mol. Its IUPAC name is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole
PubChem CID25159919
Molecular FormulaC23H25F4N3O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F4N3O/c1-29-9-7-22(8-10-29,18-3-5-20(24)6-4-18)15-31-14-17-12-19(23(25,26)27)11-16-13-28-30(2)21(16)17/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyVXXYHBRRBSOTLI-UHFFFAOYSA-N
XLogP4.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole?
The IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole (CID 25159919) is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole.
What is the SMILES notation for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole?
The canonical SMILES for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole is CN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole?
The InChIKey is VXXYHBRRBSOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O/c1-29-9-7-22(8-10-29,18-3-5-20(24)6-4-18)15-31-14-17-12-19(23(25,26)27)11-16-13-28-30(2)21(16)17/h3-6,11-13H,7-10,14-15H2,1-2H3.
What are the key properties of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole?
7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole has a molecular weight of 435.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).