3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole

C24H26F3N3O — CID 25160050

IUPAC3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2n[nH]c(C3CC3)c2c1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-12-17(22-20(13-19)21(29-30-22)16-6-7-16)14-31-15-23(8-10-28-11-9-23)18-4-2-1-3-5-18/h1-5,12-13,16,28H,6-11,14-15H2,(H,29,30)
InChIKeyHKXJWKAUWDIGDZ-UHFFFAOYSA-N
MW429.49 g/mol
LogP5.30
Rot. Bonds6

About 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole

3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole (PubChem CID 25160050) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Name3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole
PubChem CID25160050
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2n[nH]c(C3CC3)c2c1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-12-17(22-20(13-19)21(29-30-22)16-6-7-16)14-31-15-23(8-10-28-11-9-23)18-4-2-1-3-5-18/h1-5,12-13,16,28H,6-11,14-15H2,(H,29,30)
InChIKeyHKXJWKAUWDIGDZ-UHFFFAOYSA-N
XLogP5.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-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 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole?
The IUPAC name of 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole (CID 25160050) is 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole?
The canonical SMILES for 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)c2n[nH]c(C3CC3)c2c1.
What is the InChIKey of 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole?
The InChIKey is HKXJWKAUWDIGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c25-24(26,27)19-12-17(22-20(13-19)21(29-30-22)16-6-7-16)14-31-15-23(8-10-28-11-9-23)18-4-2-1-3-5-18/h1-5,12-13,16,28H,6-11,14-15H2,(H,29,30).
What are the key properties of 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole?
3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole has a molecular weight of 429.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 25160050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).