2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C23H23F3N4O4 — CID 158219274

IUPAC2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H23F3N4O4/c1-2-34-20-12-18-16(13-30(28-18)14-22(32)29-6-8-33-9-7-29)10-15(20)11-19(31)17-4-3-5-21(27-17)23(24,25)26/h3-5,10,12-13H,2,6-9,11,14H2,1H3
InChIKeyGDASPNSAKUXXSY-UHFFFAOYSA-N
MW476.46 g/mol
LogP3.13
Rot. Bonds7

About 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158219274) has the molecular formula C23H23F3N4O4 and a molecular weight of 476.46 g/mol. Its IUPAC name is 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID158219274
Molecular FormulaC23H23F3N4O4
Molecular Weight476.46 g/mol
Exact Mass476.17
IUPAC Name2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H23F3N4O4/c1-2-34-20-12-18-16(13-30(28-18)14-22(32)29-6-8-33-9-7-29)10-15(20)11-19(31)17-4-3-5-21(27-17)23(24,25)26/h3-5,10,12-13H,2,6-9,11,14H2,1H3
InChIKeyGDASPNSAKUXXSY-UHFFFAOYSA-N
XLogP3.13
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158219274) is 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc2nn(CC(=O)N3CCOCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is GDASPNSAKUXXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4/c1-2-34-20-12-18-16(13-30(28-18)14-22(32)29-6-8-33-9-7-29)10-15(20)11-19(31)17-4-3-5-21(27-17)23(24,25)26/h3-5,10,12-13H,2,6-9,11,14H2,1H3.
What are the key properties of 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 476.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158219274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).