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

C22H23ClF3N3O — CID 25159526

IUPAC5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCN1CCC(COC(c2cc(Cl)cc3cn[nH]c23)C(F)F)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23ClF3N3O/c1-29-8-6-22(7-9-29,15-2-4-17(24)5-3-15)13-30-20(21(25)26)18-11-16(23)10-14-12-27-28-19(14)18/h2-5,10-12,20-21H,6-9,13H2,1H3,(H,27,28)
InChIKeyVSDCFFGOZPMHHI-UHFFFAOYSA-N
MW437.89 g/mol
LogP5.34
Rot. Bonds6

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

5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (PubChem CID 25159526) has the molecular formula C22H23ClF3N3O and a molecular weight of 437.89 g/mol. Its IUPAC name is 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
PubChem CID25159526
Molecular FormulaC22H23ClF3N3O
Molecular Weight437.89 g/mol
Exact Mass437.15
IUPAC Name5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCN1CCC(COC(c2cc(Cl)cc3cn[nH]c23)C(F)F)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23ClF3N3O/c1-29-8-6-22(7-9-29,15-2-4-17(24)5-3-15)13-30-20(21(25)26)18-11-16(23)10-14-12-27-28-19(14)18/h2-5,10-12,20-21H,6-9,13H2,1H3,(H,27,28)
InChIKeyVSDCFFGOZPMHHI-UHFFFAOYSA-N
XLogP5.34
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.89
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The IUPAC name of 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (CID 25159526) is 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.
What is the SMILES notation for 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The canonical SMILES for 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is CN1CCC(COC(c2cc(Cl)cc3cn[nH]c23)C(F)F)(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The InChIKey is VSDCFFGOZPMHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O/c1-29-8-6-22(7-9-29,15-2-4-17(24)5-3-15)13-30-20(21(25)26)18-11-16(23)10-14-12-27-28-19(14)18/h2-5,10-12,20-21H,6-9,13H2,1H3,(H,27,28).
What are the key properties of 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole has a molecular weight of 437.89 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[2,2-difluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is sourced from PubChem (CID 25159526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).