3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

C83H52N36OS — CID 159742165

IUPAC3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
SMILESCn1nccc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncno2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncns2)nc1N
InChIInChI=1S/C18H13N7.C17H11N7.C16H10N8.C16H9N7O.C16H9N7S/c1-25-15(6-8-22-25)17-16(23-14(10-19)18(20)24-17)12-4-5-13-11(9-12)3-2-7-21-13;18-9-14-17(19)23-16(13-5-7-21-24-13)15(22-14)11-3-4-12-10(8-11)2-1-6-20-12;3*17-7-12-15(18)23-14(16-20-8-21-24-16)13(22-12)10-3-4-11-9(6-10)2-1-5-19-11/h2-9H,1H3,(H2,20,24);1-8H,(H2,19,23)(H,21,24);1-6,8H,(H2,18,23)(H,20,21,24);2*1-6,8H,(H2,18,23)
InChIKeyNCPDORGBNNJSKY-UHFFFAOYSA-N
MW1601.65 g/mol
LogP11.87
Rot. Bonds10

About 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile

3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (PubChem CID 159742165) has the molecular formula C83H52N36OS and a molecular weight of 1601.65 g/mol. Its IUPAC name is 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
PubChem CID159742165
Molecular FormulaC83H52N36OS
Molecular Weight1601.65 g/mol
Exact Mass1600.48
IUPAC Name3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile
SMILESCn1nccc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncno2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncns2)nc1N
InChIInChI=1S/C18H13N7.C17H11N7.C16H10N8.C16H9N7O.C16H9N7S/c1-25-15(6-8-22-25)17-16(23-14(10-19)18(20)24-17)12-4-5-13-11(9-12)3-2-7-21-13;18-9-14-17(19)23-16(13-5-7-21-24-13)15(22-14)11-3-4-12-10(8-11)2-1-6-20-12;3*17-7-12-15(18)23-14(16-20-8-21-24-16)13(22-12)10-3-4-11-9(6-10)2-1-5-19-11/h2-9H,1H3,(H2,20,24);1-8H,(H2,19,23)(H,21,24);1-6,8H,(H2,18,23)(H,20,21,24);2*1-6,8H,(H2,18,23)
InChIKeyNCPDORGBNNJSKY-UHFFFAOYSA-N
XLogP11.87
TPSA595.17 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.65
LogP ≤ 511.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile (CID 159742165) is 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is Cn1nccc1-c1nc(N)c(C#N)nc1-c1ccc2ncccc2c1.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ccn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncn[nH]2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncno2)nc1N.N#Cc1nc(-c2ccc3ncccc3c2)c(-c2ncns2)nc1N.
What is the InChIKey of 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
The InChIKey is NCPDORGBNNJSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7.C17H11N7.C16H10N8.C16H9N7O.C16H9N7S/c1-25-15(6-8-22-25)17-16(23-14(10-19)18(20)24-17)12-4-5-13-11(9-12)3-2-7-21-13;18-9-14-17(19)23-16(13-5-7-21-24-13)15(22-14)11-3-4-12-10(8-11)2-1-6-20-12;3*17-7-12-15(18)23-14(16-20-8-21-24-16)13(22-12)10-3-4-11-9(6-10)2-1-5-19-11/h2-9H,1H3,(H2,20,24);1-8H,(H2,19,23)(H,21,24);1-6,8H,(H2,18,23)(H,20,21,24);2*1-6,8H,(H2,18,23).
What are the key properties of 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile?
3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile has a molecular weight of 1601.65 g/mol, XLogP of 11.87, 10 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1,2,4-oxadiazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(1H-pyrazol-5-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1,2,4-thiadiazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 159742165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).