4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol

C23H24FN5O — CID 168978633

IUPAC4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol
SMILESC1CCC2(CC2)NC1.Cn1cc2cc(-c3cnc4ccccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C16H11FN4O.C7H13N/c1-21-8-9-6-10(16(22)14(17)15(9)20-21)13-7-18-11-4-2-3-5-12(11)19-13;1-2-6-8-7(3-1)4-5-7/h2-8,22H,1H3;8H,1-6H2
InChIKeyYLBJQLMLASPKBV-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.32
Rot. Bonds1

About 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol

4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol (PubChem CID 168978633) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol.

Molecular Properties

Compound Name4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol
PubChem CID168978633
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol
SMILESC1CCC2(CC2)NC1.Cn1cc2cc(-c3cnc4ccccc4n3)c(O)c(F)c2n1
InChIInChI=1S/C16H11FN4O.C7H13N/c1-21-8-9-6-10(16(22)14(17)15(9)20-21)13-7-18-11-4-2-3-5-12(11)19-13;1-2-6-8-7(3-1)4-5-7/h2-8,22H,1H3;8H,1-6H2
InChIKeyYLBJQLMLASPKBV-UHFFFAOYSA-N
XLogP4.32
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol?
The IUPAC name of 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol (CID 168978633) is 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol.
What is the SMILES notation for 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol?
The canonical SMILES for 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol is C1CCC2(CC2)NC1.Cn1cc2cc(-c3cnc4ccccc4n3)c(O)c(F)c2n1.
What is the InChIKey of 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol?
The InChIKey is YLBJQLMLASPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O.C7H13N/c1-21-8-9-6-10(16(22)14(17)15(9)20-21)13-7-18-11-4-2-3-5-12(11)19-13;1-2-6-8-7(3-1)4-5-7/h2-8,22H,1H3;8H,1-6H2.
What are the key properties of 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol?
4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol has a molecular weight of 405.48 g/mol, XLogP of 4.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octane;7-fluoro-2-methyl-5-quinoxalin-2-ylindazol-6-ol is sourced from PubChem (CID 168978633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).