morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone

C18H15F3N4O2 — CID 71736825

IUPACmorpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)cn1)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)12-7-13(14-10-23-24-16(14)8-12)11-1-2-15(22-9-11)17(26)25-3-5-27-6-4-25/h1-2,7-10H,3-6H2,(H,23,24)
InChIKeyQYJMEANYBQUMFR-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.12
Rot. Bonds2

About morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone

morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone (PubChem CID 71736825) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone
PubChem CID71736825
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Namemorpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)cn1)N1CCOCC1
InChIInChI=1S/C18H15F3N4O2/c19-18(20,21)12-7-13(14-10-23-24-16(14)8-12)11-1-2-15(22-9-11)17(26)25-3-5-27-6-4-25/h1-2,7-10H,3-6H2,(H,23,24)
InChIKeyQYJMEANYBQUMFR-UHFFFAOYSA-N
XLogP3.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone (CID 71736825) is morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone is O=C(c1ccc(-c2cc(C(F)(F)F)cc3[nH]ncc23)cn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone?
The InChIKey is QYJMEANYBQUMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c19-18(20,21)12-7-13(14-10-23-24-16(14)8-12)11-1-2-15(22-9-11)17(26)25-3-5-27-6-4-25/h1-2,7-10H,3-6H2,(H,23,24).
What are the key properties of morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone?
morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone has a molecular weight of 376.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[6-(trifluoromethyl)-1H-indazol-4-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 71736825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).