2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid

C23H21F3N4O6 — CID 146966228

IUPAC2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid
SMILESO=C(O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H21F3N4O6/c24-23(25,26)20-3-1-2-16(27-20)18(31)9-14-8-15-11-30(12-21(32)29-4-6-35-7-5-29)28-17(15)10-19(14)36-13-22(33)34/h1-3,8,10-11H,4-7,9,12-13H2,(H,33,34)
InChIKeyALOABTSUKDMJGY-UHFFFAOYSA-N
MW506.44 g/mol
LogP2.20
Rot. Bonds8

About 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid

2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid (PubChem CID 146966228) has the molecular formula C23H21F3N4O6 and a molecular weight of 506.44 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid
PubChem CID146966228
Molecular FormulaC23H21F3N4O6
Molecular Weight506.44 g/mol
Exact Mass506.14
IUPAC Name2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid
SMILESO=C(O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H21F3N4O6/c24-23(25,26)20-3-1-2-16(27-20)18(31)9-14-8-15-11-30(12-21(32)29-4-6-35-7-5-29)28-17(15)10-19(14)36-13-22(33)34/h1-3,8,10-11H,4-7,9,12-13H2,(H,33,34)
InChIKeyALOABTSUKDMJGY-UHFFFAOYSA-N
XLogP2.20
TPSA123.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid?
The IUPAC name of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid (CID 146966228) is 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid is O=C(O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid?
The InChIKey is ALOABTSUKDMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O6/c24-23(25,26)20-3-1-2-16(27-20)18(31)9-14-8-15-11-30(12-21(32)29-4-6-35-7-5-29)28-17(15)10-19(14)36-13-22(33)34/h1-3,8,10-11H,4-7,9,12-13H2,(H,33,34).
What are the key properties of 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid?
2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid has a molecular weight of 506.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-6-yl]oxyacetic acid is sourced from PubChem (CID 146966228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).