2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol

C18H19FN4O2 — CID 90400720

IUPAC2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
SMILESOCCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H19FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,9-11,24H,2,4-8H2,(H,21,22)
InChIKeyOHTJPXJHYKLXFH-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.14
Rot. Bonds4

About 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol

2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol (PubChem CID 90400720) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
PubChem CID90400720
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol
SMILESOCCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F
InChIInChI=1S/C18H19FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,9-11,24H,2,4-8H2,(H,21,22)
InChIKeyOHTJPXJHYKLXFH-UHFFFAOYSA-N
XLogP2.14
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol?
The IUPAC name of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol (CID 90400720) is 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol.
What is the SMILES notation for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol?
The canonical SMILES for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol is OCCc1cc2c(-c3ccnc(N4CCOCC4)c3)n[nH]c2cc1F.
What is the InChIKey of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol?
The InChIKey is OHTJPXJHYKLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-15-11-16-14(9-12(15)2-6-24)18(22-21-16)13-1-3-20-17(10-13)23-4-7-25-8-5-23/h1,3,9-11,24H,2,4-8H2,(H,21,22).
What are the key properties of 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol?
2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol has a molecular weight of 342.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]ethanol is sourced from PubChem (CID 90400720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).