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

C22H24ClF2N3O — CID 25161224

IUPAC5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCN1CCC(COC(CF)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClF2N3O/c1-28-8-6-22(7-9-28,16-2-4-18(25)5-3-16)14-29-20(12-24)19-11-17(23)10-15-13-26-27-21(15)19/h2-5,10-11,13,20H,6-9,12,14H2,1H3,(H,26,27)
InChIKeyMJGVWSDKSSNGHC-UHFFFAOYSA-N
MW419.90 g/mol
LogP5.05
Rot. Bonds6

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

5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (PubChem CID 25161224) has the molecular formula C22H24ClF2N3O and a molecular weight of 419.90 g/mol. Its IUPAC name is 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
PubChem CID25161224
Molecular FormulaC22H24ClF2N3O
Molecular Weight419.90 g/mol
Exact Mass419.16
IUPAC Name5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole
SMILESCN1CCC(COC(CF)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H24ClF2N3O/c1-28-8-6-22(7-9-28,16-2-4-18(25)5-3-16)14-29-20(12-24)19-11-17(23)10-15-13-26-27-21(15)19/h2-5,10-11,13,20H,6-9,12,14H2,1H3,(H,26,27)
InChIKeyMJGVWSDKSSNGHC-UHFFFAOYSA-N
XLogP5.05
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.90
LogP ≤ 55.05
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-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The IUPAC name of 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole (CID 25161224) is 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole.
What is the SMILES notation for 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The canonical SMILES for 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is CN1CCC(COC(CF)c2cc(Cl)cc3cn[nH]c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
The InChIKey is MJGVWSDKSSNGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2N3O/c1-28-8-6-22(7-9-28,16-2-4-18(25)5-3-16)14-29-20(12-24)19-11-17(23)10-15-13-26-27-21(15)19/h2-5,10-11,13,20H,6-9,12,14H2,1H3,(H,26,27).
What are the key properties of 5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole?
5-chloro-7-[2-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole has a molecular weight of 419.90 g/mol, XLogP of 5.05, 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-fluoro-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1H-indazole is sourced from PubChem (CID 25161224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).