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

C25H28F3N5O4 — CID 151503612

IUPAC1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone
SMILESO=C(Cn1cc2cc(-c3cccc(C(F)(F)F)n3)c(OCCN3CCOCC3)cc2n1)N1CCOCC1
InChIInChI=1S/C25H28F3N5O4/c26-25(27,28)23-3-1-2-20(29-23)19-14-18-16-33(17-24(34)32-7-11-36-12-8-32)30-21(18)15-22(19)37-13-6-31-4-9-35-10-5-31/h1-3,14-16H,4-13,17H2
InChIKeyPQYLZXWVBXKJCX-UHFFFAOYSA-N
MW519.52 g/mol
LogP2.69
Rot. Bonds7

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

1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone (PubChem CID 151503612) has the molecular formula C25H28F3N5O4 and a molecular weight of 519.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone
PubChem CID151503612
Molecular FormulaC25H28F3N5O4
Molecular Weight519.52 g/mol
Exact Mass519.21
IUPAC Name1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone
SMILESO=C(Cn1cc2cc(-c3cccc(C(F)(F)F)n3)c(OCCN3CCOCC3)cc2n1)N1CCOCC1
InChIInChI=1S/C25H28F3N5O4/c26-25(27,28)23-3-1-2-20(29-23)19-14-18-16-33(17-24(34)32-7-11-36-12-8-32)30-21(18)15-22(19)37-13-6-31-4-9-35-10-5-31/h1-3,14-16H,4-13,17H2
InChIKeyPQYLZXWVBXKJCX-UHFFFAOYSA-N
XLogP2.69
TPSA81.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157346296
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-1-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethanone
CID 147437195
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
N-[6-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxamide
CID 144865168
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
2-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158362016
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone (CID 151503612) is 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone is O=C(Cn1cc2cc(-c3cccc(C(F)(F)F)n3)c(OCCN3CCOCC3)cc2n1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone?
The InChIKey is PQYLZXWVBXKJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O4/c26-25(27,28)23-3-1-2-20(29-23)19-14-18-16-33(17-24(34)32-7-11-36-12-8-32)30-21(18)15-22(19)37-13-6-31-4-9-35-10-5-31/h1-3,14-16H,4-13,17H2.
What are the key properties of 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone?
1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone has a molecular weight of 519.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone is sourced from PubChem (CID 151503612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).