ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate

C24H24F3N5O6 — CID 122650745

IUPACethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H24F3N5O6/c1-2-37-22(34)14-38-19-11-17-15(12-32(30-17)13-21(33)31-6-8-36-9-7-31)10-18(19)29-23(35)16-4-3-5-20(28-16)24(25,26)27/h3-5,10-12H,2,6-9,13-14H2,1H3,(H,29,35)
InChIKeyVYYYPCWFBGWXJH-UHFFFAOYSA-N
MW535.48 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate

ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate (PubChem CID 122650745) has the molecular formula C24H24F3N5O6 and a molecular weight of 535.48 g/mol. Its IUPAC name is ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
PubChem CID122650745
Molecular FormulaC24H24F3N5O6
Molecular Weight535.48 g/mol
Exact Mass535.17
IUPAC Nameethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H24F3N5O6/c1-2-37-22(34)14-38-19-11-17-15(12-32(30-17)13-21(33)31-6-8-36-9-7-31)10-18(19)29-23(35)16-4-3-5-20(28-16)24(25,26)27/h3-5,10-12H,2,6-9,13-14H2,1H3,(H,29,35)
InChIKeyVYYYPCWFBGWXJH-UHFFFAOYSA-N
XLogP2.50
TPSA124.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate with MolForge

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Related Compounds

N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[6-(2-hydroxypropan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172910
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-[6-(1-hydroxyethenyl)-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182683
N-[6-(cyclopropylmethoxy)-2-[2-[4-(2-hydroxypentan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422930
N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865171
6-(cyclopropylamino)-N-[6-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)indazol-5-yl]pyridine-2-carboxamide
CID 122637013
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157346296
1-morpholin-4-yl-2-[6-(2-morpholin-4-ylethoxy)-5-[6-(trifluoromethyl)-2-pyridinyl]indazol-2-yl]ethanone
CID 151503612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate (CID 122650745) is ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate is CCOC(=O)COc1cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate?
The InChIKey is VYYYPCWFBGWXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O6/c1-2-37-22(34)14-38-19-11-17-15(12-32(30-17)13-21(33)31-6-8-36-9-7-31)10-18(19)29-23(35)16-4-3-5-20(28-16)24(25,26)27/h3-5,10-12H,2,6-9,13-14H2,1H3,(H,29,35).
What are the key properties of ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate?
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate has a molecular weight of 535.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate is sourced from PubChem (CID 122650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).