6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine

C20H20N6S — CID 172572552

IUPAC6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine
SMILESCC.Cc1ccc(-c2ccc3nc(C#N)cn3c2)c2[nH]cc(C#N)c12.NS
InChIInChI=1S/C18H11N5.C2H6.H3NS/c1-11-2-4-15(18-17(11)13(6-19)8-21-18)12-3-5-16-22-14(7-20)10-23(16)9-12;2*1-2/h2-5,8-10,21H,1H3;1-2H3;2H,1H2
InChIKeyMNJWKAWHDDVXAT-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.35
Rot. Bonds1

About 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine

6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine (PubChem CID 172572552) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine.

Molecular Properties

Compound Name6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine
PubChem CID172572552
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine
SMILESCC.Cc1ccc(-c2ccc3nc(C#N)cn3c2)c2[nH]cc(C#N)c12.NS
InChIInChI=1S/C18H11N5.C2H6.H3NS/c1-11-2-4-15(18-17(11)13(6-19)8-21-18)12-3-5-16-22-14(7-20)10-23(16)9-12;2*1-2/h2-5,8-10,21H,1H3;1-2H3;2H,1H2
InChIKeyMNJWKAWHDDVXAT-UHFFFAOYSA-N
XLogP4.35
TPSA106.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine?
The IUPAC name of 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine (CID 172572552) is 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine.
What is the SMILES notation for 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine?
The canonical SMILES for 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine is CC.Cc1ccc(-c2ccc3nc(C#N)cn3c2)c2[nH]cc(C#N)c12.NS.
What is the InChIKey of 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine?
The InChIKey is MNJWKAWHDDVXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5.C2H6.H3NS/c1-11-2-4-15(18-17(11)13(6-19)8-21-18)12-3-5-16-22-14(7-20)10-23(16)9-12;2*1-2/h2-5,8-10,21H,1H3;1-2H3;2H,1H2.
What are the key properties of 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine?
6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine has a molecular weight of 376.49 g/mol, XLogP of 4.35, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-4-methyl-1H-indol-7-yl)imidazo[1,2-a]pyridine-2-carbonitrile;ethane;thiohydroxylamine is sourced from PubChem (CID 172572552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).