3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile

C85H51N31O2S2 — CID 159693097

About 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile

3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 159693097) has the molecular formula C85H51N31O2S2 and a molecular weight of 1602.69 g/mol. Its IUPAC name is 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile
• PubChem CID: 159693097
• Molecular Formula: C85H51N31O2S2
• Molecular Weight: 1602.69 g/mol
• Exact Mass: 1601.43
• IUPAC Name: 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile
• SMILES: N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccno2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccns2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cnc[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cnco2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cncs2)nc1N
• InChI: InChI=1S/C17H11N7.2C17H10N6O.2C17H10N6S/c18-7-13-17(19)24-16(14-8-20-9-22-14)15(23-13)11-3-4-12-10(6-11)2-1-5-21-12;18-9-13-17(19)23-16(14-5-7-21-24-14)15(22-13)11-3-4-12-10(8-11)2-1-6-20-12;18-7-13-17(19)23-16(14-8-20-9-24-14)15(22-13)11-3-4-12-10(6-11)2-1-5-21-12;18-9-13-17(19)23-16(14-5-7-21-24-14)15(22-13)11-3-4-12-10(8-11)2-1-6-20-12;18-7-13-17(19)23-16(14-8-20-9-24-14)15(22-13)11-3-4-12-10(6-11)2-1-5-21-12/h1-6,8-9H,(H2,19,24)(H,20,22);1-8H,(H2,19,23);1-6,8-9H,(H2,19,23);1-8H,(H2,19,23);1-6,8-9H,(H2,19,23)
• InChIKey: MWQWPEOFTDDGRO-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 548.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 10
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1602.69
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile?

The IUPAC name of 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile (CID 159693097) is 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile.

What is the SMILES notation for 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile?

The canonical SMILES for 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile is N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccno2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccns2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cnc[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cnco2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2cncs2)nc1N.

What is the InChIKey of 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile?

The InChIKey is MWQWPEOFTDDGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7.2C17H10N6O.2C17H10N6S/c18-7-13-17(19)24-16(14-8-20-9-22-14)15(23-13)11-3-4-12-10(6-11)2-1-5-21-12;18-9-13-17(19)23-16(14-5-7-21-24-14)15(22-13)11-3-4-12-10(8-11)2-1-6-20-12;18-7-13-17(19)23-16(14-8-20-9-24-14)15(22-13)11-3-4-12-10(6-11)2-1-5-21-12;18-9-13-17(19)23-16(14-5-7-21-24-14)15(22-13)11-3-4-12-10(8-11)2-1-6-20-12;18-7-13-17(19)23-16(14-8-20-9-24-14)15(22-13)11-3-4-12-10(6-11)2-1-5-21-12/h1-6,8-9H,(H2,19,24)(H,20,22);1-8H,(H2,19,23);1-6,8-9H,(H2,19,23);1-8H,(H2,19,23);1-6,8-9H,(H2,19,23).

What are the key properties of 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile?

3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 1602.69 g/mol, XLogP of 14.68, 10 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-(1H-imidazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,3-oxazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2-thiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,3-thiazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 159693097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).