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

C21H22F3N3O — CID 25159651

IUPAC7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2[nH]ncc2c1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)18-10-15-12-26-27-19(15)16(11-18)13-28-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27)
InChIKeyJNCUXCGDFJFYJK-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.42
Rot. Bonds5

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

7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole (PubChem CID 25159651) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
PubChem CID25159651
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2[nH]ncc2c1
InChIInChI=1S/C21H22F3N3O/c22-21(23,24)18-10-15-12-26-27-19(15)16(11-18)13-28-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27)
InChIKeyJNCUXCGDFJFYJK-UHFFFAOYSA-N
XLogP4.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The IUPAC name of 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole (CID 25159651) is 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2[nH]ncc2c1.
What is the InChIKey of 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The InChIKey is JNCUXCGDFJFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c22-21(23,24)18-10-15-12-26-27-19(15)16(11-18)13-28-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27).
What are the key properties of 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole has a molecular weight of 389.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 25159651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).