sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite

C74H67ClF9N8NaO11 — CID 159518845

IUPACsodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite
SMILESC.C.C.CC(=O)O.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.N.O=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ccc3c2)n1.O=C=O.O=CNc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.[Na+].[O-][Cl+][O-]
InChIInChI=1S/C23H16F3N3O2.C23H17F3N2O2.C22H15F3N2O.C2H4O2.CO2.3CH4.ClO2.H3N.Na/c24-23(25,26)16-7-4-14(5-8-16)10-22(31)20-3-1-2-18(29-20)15-6-9-19-17(11-15)21(12-27-19)28-13-30;1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;23-22(24,25)17-7-4-14(5-8-17)12-21(28)20-3-1-2-19(27-20)15-6-9-18-16(13-15)10-11-26-18;1-2(3)4;2-1-3;;;;2-1-3;;/h1-9,11-13,27H,10H2,(H,28,30);2-10,12-13,27H,11H2,1H3;1-11,13,26H,12H2;1H3,(H,3,4);;3*1H4;;1H3;/q;;;;;;;;-1;;+1
InChIKeyDTAWXLZMNGNDII-UHFFFAOYSA-N
MW1473.82 g/mol
LogP12.80
Rot. Bonds15

About sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite

sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite (PubChem CID 159518845) has the molecular formula C74H67ClF9N8NaO11 and a molecular weight of 1473.82 g/mol. Its IUPAC name is sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite.

Molecular Properties

Compound Namesodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite
PubChem CID159518845
Molecular FormulaC74H67ClF9N8NaO11
Molecular Weight1473.82 g/mol
Exact Mass1472.44
IUPAC Namesodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite
SMILESC.C.C.CC(=O)O.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.N.O=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ccc3c2)n1.O=C=O.O=CNc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.[Na+].[O-][Cl+][O-]
InChIInChI=1S/C23H16F3N3O2.C23H17F3N2O2.C22H15F3N2O.C2H4O2.CO2.3CH4.ClO2.H3N.Na/c24-23(25,26)16-7-4-14(5-8-16)10-22(31)20-3-1-2-18(29-20)15-6-9-19-17(11-15)21(12-27-19)28-13-30;1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;23-22(24,25)17-7-4-14(5-8-17)12-21(28)20-3-1-2-19(27-20)15-6-9-18-16(13-15)10-11-26-18;1-2(3)4;2-1-3;;;;2-1-3;;/h1-9,11-13,27H,10H2,(H,28,30);2-10,12-13,27H,11H2,1H3;1-11,13,26H,12H2;1H3,(H,3,4);;3*1H4;;1H3;/q;;;;;;;;-1;;+1
InChIKeyDTAWXLZMNGNDII-UHFFFAOYSA-N
XLogP12.80
TPSA328.14 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001473.82
LogP ≤ 512.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite with MolForge

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Related Compounds

sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite
CID 161256322
1-(5-fluoro-1H-indol-3-yl)-2-(6-methoxy-3-pyridinyl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone
CID 90302789
2-Aminocyclopentan-1-one;methane;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide
CID 158161339
1-(5-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
CID 158210048
1-(6-fluoro-1H-indol-3-yl)-2-(3-methoxyanilino)-2-(5-methoxypyrazin-2-yl)ethanone
CID 158461088
2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethylacetamide;2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]acetamide;methyl 2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-[[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohexyl]amino]acetamide
CID 158482357
(2S)-2-aminocyclopentan-1-one;6-[3-methoxy-1-[(4-methylphenyl)methyl]indol-5-yl]pyridine-2-carboxamide;6-[1-[(4-methylphenyl)methyl]-3-[[(2-oxopyrrolidin-3-yl)amino]methyl]indol-5-yl]pyridine-2-carboxamide
CID 162200529

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite?
The IUPAC name of sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite (CID 159518845) is sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite.
What is the SMILES notation for sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite?
The canonical SMILES for sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite is C.C.C.CC(=O)O.COc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.N.O=C(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2ccc3[nH]ccc3c2)n1.O=C=O.O=CNc1c[nH]c2ccc(-c3cccc(C(=O)Cc4ccc(C(F)(F)F)cc4)n3)cc12.[Na+].[O-][Cl+][O-].
What is the InChIKey of sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite?
The InChIKey is DTAWXLZMNGNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2.C23H17F3N2O2.C22H15F3N2O.C2H4O2.CO2.3CH4.ClO2.H3N.Na/c24-23(25,26)16-7-4-14(5-8-16)10-22(31)20-3-1-2-18(29-20)15-6-9-19-17(11-15)21(12-27-19)28-13-30;1-30-22-13-27-19-10-7-15(12-17(19)22)18-3-2-4-20(28-18)21(29)11-14-5-8-16(9-6-14)23(24,25)26;23-22(24,25)17-7-4-14(5-8-17)12-21(28)20-3-1-2-19(27-20)15-6-9-18-16(13-15)10-11-26-18;1-2(3)4;2-1-3;;;;2-1-3;;/h1-9,11-13,27H,10H2,(H,28,30);2-10,12-13,27H,11H2,1H3;1-11,13,26H,12H2;1H3,(H,3,4);;3*1H4;;1H3;/q;;;;;;;;-1;;+1.
What are the key properties of sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite?
sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite has a molecular weight of 1473.82 g/mol, XLogP of 12.80, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;azane;carbon dioxide;1-[6-(1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;methane;1-[6-(3-methoxy-1H-indol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;N-[5-[6-[2-[4-(trifluoromethyl)phenyl]acetyl]-2-pyridinyl]-1H-indol-3-yl]formamide;chlorite is sourced from PubChem (CID 159518845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).