chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid

C48H40Cl3F2N21O4S2 — CID 167657293

IUPACchloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[H]/N=N/N=N/N=N/N=N/N=N/N=NCl
InChIInChI=1S/C24H19ClFN5OS.C24H20ClFN4O3S.ClHN12/c1-27-22-12-17-18(13-29-22)31(24(30-17)23-16(26)6-3-9-28-23)15-5-2-4-14(10-15)11-19(32)20-7-8-21(25)33-20;25-21-7-6-20(34-21)19(31)10-13-3-1-4-14(9-13)30-18-12-28-17(24(32)33)11-16(18)29-23(30)22-15(26)5-2-8-27-22;1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6-9,12-15H,2,4-5,10-11H2;2,5-8,11-14H,1,3-4,9-10H2,(H,32,33);2H/b;;4-2+,5-3?,8-6+,9-7+,12-10+,13-11+/t14-,15+;13-,14+;/m11./s1
InChIKeyRLBZOTHIABTVBM-PXQUUJIRSA-N
MW1183.48 g/mol
LogP15.96
Rot. Bonds16

About chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid

chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 167657293) has the molecular formula C48H40Cl3F2N21O4S2 and a molecular weight of 1183.48 g/mol. Its IUPAC name is chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Namechloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID167657293
Molecular FormulaC48H40Cl3F2N21O4S2
Molecular Weight1183.48 g/mol
Exact Mass1181.20
IUPAC Namechloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[H]/N=N/N=N/N=N/N=N/N=N/N=NCl
InChIInChI=1S/C24H19ClFN5OS.C24H20ClFN4O3S.ClHN12/c1-27-22-12-17-18(13-29-22)31(24(30-17)23-16(26)6-3-9-28-23)15-5-2-4-14(10-15)11-19(32)20-7-8-21(25)33-20;25-21-7-6-20(34-21)19(31)10-13-3-1-4-14(9-13)30-18-12-28-17(24(32)33)11-16(18)29-23(30)22-15(26)5-2-8-27-22;1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6-9,12-15H,2,4-5,10-11H2;2,5-8,11-14H,1,3-4,9-10H2,(H,32,33);2H/b;;4-2+,5-3?,8-6+,9-7+,12-10+,13-11+/t14-,15+;13-,14+;/m11./s1
InChIKeyRLBZOTHIABTVBM-PXQUUJIRSA-N
XLogP15.96
TPSA322.81 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.48
LogP ≤ 515.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 167566660
3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid;1-[3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]propan-1-one;methanamine
CID 167566659
5-chlorothiophene-2-carboxylic acid;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine
CID 167620700
5-bromothiophene-2-carboxylic acid;methyl 3-[(1R,3S)-3-aminocyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate;methyl 3-[(1R,3S)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxylate;hydrochloride
CID 167647078

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid (CID 167657293) is chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](CC(=O)c4ccc(Cl)s4)C3)c2cn1.[H]/N=N/N=N/N=N/N=N/N=N/N=NCl.
What is the InChIKey of chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is RLBZOTHIABTVBM-PXQUUJIRSA-N. The full InChI is InChI=1S/C24H19ClFN5OS.C24H20ClFN4O3S.ClHN12/c1-27-22-12-17-18(13-29-22)31(24(30-17)23-16(26)6-3-9-28-23)15-5-2-4-14(10-15)11-19(32)20-7-8-21(25)33-20;25-21-7-6-20(34-21)19(31)10-13-3-1-4-14(9-13)30-18-12-28-17(24(32)33)11-16(18)29-23(30)22-15(26)5-2-8-27-22;1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6-9,12-15H,2,4-5,10-11H2;2,5-8,11-14H,1,3-4,9-10H2,(H,32,33);2H/b;;4-2+,5-3?,8-6+,9-7+,12-10+,13-11+/t14-,15+;13-,14+;/m11./s1.
What are the key properties of chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid?
chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 1183.48 g/mol, XLogP of 15.96, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-[(E)-[(E)-[(E)-diazenyldiazenyl]diazenyl]diazenyl]diazenyl]diazene;1-(5-chlorothiophen-2-yl)-2-[(1R,3S)-3-[2-(3-fluoro-2-pyridinyl)-6-isocyanoimidazo[4,5-c]pyridin-3-yl]cyclohexyl]ethanone;3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 167657293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).