5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole

C23H27ClFN3O2 — CID 25161097

IUPAC5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole
SMILESCOCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H27ClFN3O2/c1-28-9-7-23(8-10-28,17-3-5-19(25)6-4-17)15-30-21(14-29-2)20-12-18(24)11-16-13-26-27-22(16)20/h3-6,11-13,21H,7-10,14-15H2,1-2H3,(H,26,27)
InChIKeyDEXUVKYAGIWAJO-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.72
Rot. Bonds7

About 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole

5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole (PubChem CID 25161097) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole
PubChem CID25161097
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole
SMILESCOCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H27ClFN3O2/c1-28-9-7-23(8-10-28,17-3-5-19(25)6-4-17)15-30-21(14-29-2)20-12-18(24)11-16-13-26-27-22(16)20/h3-6,11-13,21H,7-10,14-15H2,1-2H3,(H,26,27)
InChIKeyDEXUVKYAGIWAJO-UHFFFAOYSA-N
XLogP4.72
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-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 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole?
The IUPAC name of 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole (CID 25161097) is 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole.
What is the SMILES notation for 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole?
The canonical SMILES for 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole is COCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole?
The InChIKey is DEXUVKYAGIWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c1-28-9-7-23(8-10-28,17-3-5-19(25)6-4-17)15-30-21(14-29-2)20-12-18(24)11-16-13-26-27-22(16)20/h3-6,11-13,21H,7-10,14-15H2,1-2H3,(H,26,27).
What are the key properties of 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole?
5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole has a molecular weight of 431.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]-2-methoxyethyl]-1H-indazole is sourced from PubChem (CID 25161097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).