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

C23H26F3N3O — CID 25159784

IUPAC1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccccc2)CC1
InChIInChI=1S/C23H26F3N3O/c1-28-10-8-22(9-11-28,19-6-4-3-5-7-19)16-30-15-18-13-20(23(24,25)26)12-17-14-27-29(2)21(17)18/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyDABVDVHRJJSQOC-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.77
Rot. Bonds5

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

1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (PubChem CID 25159784) has the molecular formula C23H26F3N3O and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
PubChem CID25159784
Molecular FormulaC23H26F3N3O
Molecular Weight417.48 g/mol
Exact Mass417.20
IUPAC Name1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccccc2)CC1
InChIInChI=1S/C23H26F3N3O/c1-28-10-8-22(9-11-28,19-6-4-3-5-7-19)16-30-15-18-13-20(23(24,25)26)12-17-14-27-29(2)21(17)18/h3-7,12-14H,8-11,15-16H2,1-2H3
InChIKeyDABVDVHRJJSQOC-UHFFFAOYSA-N
XLogP4.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The IUPAC name of 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole (CID 25159784) is 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole.
What is the SMILES notation for 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The canonical SMILES for 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is CN1CCC(COCc2cc(C(F)(F)F)cc3cnn(C)c23)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
The InChIKey is DABVDVHRJJSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O/c1-28-10-8-22(9-11-28,19-6-4-3-5-7-19)16-30-15-18-13-20(23(24,25)26)12-17-14-27-29(2)21(17)18/h3-7,12-14H,8-11,15-16H2,1-2H3.
What are the key properties of 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole?
1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole has a molecular weight of 417.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)indazole is sourced from PubChem (CID 25159784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).