2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol

C21H23ClFN3O2 — CID 91218245

IUPAC2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
SMILESOCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26)
InChIKeyFPVBMSBRKUDHHS-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.73
Rot. Bonds6

About 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol

2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol (PubChem CID 91218245) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
PubChem CID91218245
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol
SMILESOCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26)
InChIKeyFPVBMSBRKUDHHS-UHFFFAOYSA-N
XLogP3.73
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The IUPAC name of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol (CID 91218245) is 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol.
What is the SMILES notation for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The canonical SMILES for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol is OCC(OCC1(c2ccc(F)cc2)CCNCC1)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
The InChIKey is FPVBMSBRKUDHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-16-9-14-11-25-26-20(14)18(10-16)19(12-27)28-13-21(5-7-24-8-6-21)15-1-3-17(23)4-2-15/h1-4,9-11,19,24,27H,5-8,12-13H2,(H,25,26).
What are the key properties of 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol?
2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol has a molecular weight of 403.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indazol-7-yl)-2-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethanol is sourced from PubChem (CID 91218245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).