3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile

C95H69N29O2S3 — CID 157179719

IUPAC3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1csc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)oc1C.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)sc1C.Cc1sc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c(C)c1C
InChIInChI=1S/C21H17N5S.C19H14N6O.C19H14N6S.C18H12N6O.C18H12N6S/c1-11-12(2)20(27-13(11)3)19-18(25-17(10-22)21(23)26-19)15-6-7-16-14(9-15)5-4-8-24-16;2*1-10-11(2)26-19(23-10)17-16(24-15(9-20)18(21)25-17)13-5-6-14-12(8-13)4-3-7-22-14;2*1-10-9-25-18(22-10)16-15(23-14(8-19)17(20)24-16)12-4-5-13-11(7-12)3-2-6-21-13/h4-9H,1-3H3,(H2,23,26);2*3-8H,1-2H3,(H2,21,25);2*2-7,9H,1H3,(H2,20,24)
InChIKeyAOKULEVPLBBMRF-UHFFFAOYSA-N
MW1745.00 g/mol
LogP18.79
Rot. Bonds10

About 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile

3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile (PubChem CID 157179719) has the molecular formula C95H69N29O2S3 and a molecular weight of 1745.00 g/mol. Its IUPAC name is 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile
PubChem CID157179719
Molecular FormulaC95H69N29O2S3
Molecular Weight1745.00 g/mol
Exact Mass1743.54
IUPAC Name3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile
SMILESCc1coc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1csc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)oc1C.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)sc1C.Cc1sc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c(C)c1C
InChIInChI=1S/C21H17N5S.C19H14N6O.C19H14N6S.C18H12N6O.C18H12N6S/c1-11-12(2)20(27-13(11)3)19-18(25-17(10-22)21(23)26-19)15-6-7-16-14(9-15)5-4-8-24-16;2*1-10-11(2)26-19(23-10)17-16(24-15(9-20)18(21)25-17)13-5-6-14-12(8-13)4-3-7-22-14;2*1-10-9-25-18(22-10)16-15(23-14(8-19)17(20)24-16)12-4-5-13-11(7-12)3-2-6-21-13/h4-9H,1-3H3,(H2,23,26);2*3-8H,1-2H3,(H2,21,25);2*2-7,9H,1H3,(H2,20,24)
InChIKeyAOKULEVPLBBMRF-UHFFFAOYSA-N
XLogP18.79
TPSA520.24 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds10
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.00
LogP ≤ 518.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile (CID 157179719) is 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile is Cc1coc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1csc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)n1.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)oc1C.Cc1nc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)sc1C.Cc1sc(-c2nc(N)c(C#N)nc2-c2ccc3ncccc3c2)c(C)c1C.
What is the InChIKey of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile?
The InChIKey is AOKULEVPLBBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S.C19H14N6O.C19H14N6S.C18H12N6O.C18H12N6S/c1-11-12(2)20(27-13(11)3)19-18(25-17(10-22)21(23)26-19)15-6-7-16-14(9-15)5-4-8-24-16;2*1-10-11(2)26-19(23-10)17-16(24-15(9-20)18(21)25-17)13-5-6-14-12(8-13)4-3-7-22-14;2*1-10-9-25-18(22-10)16-15(23-14(8-19)17(20)24-16)12-4-5-13-11(7-12)3-2-6-21-13/h4-9H,1-3H3,(H2,23,26);2*3-8H,1-2H3,(H2,21,25);2*2-7,9H,1H3,(H2,20,24).
What are the key properties of 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile?
3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile has a molecular weight of 1745.00 g/mol, XLogP of 18.79, 10 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,5-dimethyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(4-methyl-1,3-thiazol-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-quinolin-6-yl-5-(3,4,5-trimethylthiophen-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 157179719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).