3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

C19H14N6 — CID 158202532

IUPAC3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(C)c(C#N)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C19H14N6/c1-12-7-9-25(24-12)19-18(23-17(11-20)13(2)22-19)15-5-6-16-14(10-15)4-3-8-21-16/h3-10H,1-2H3
InChIKeyGBCOLFGTBVTWKB-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.37
Rot. Bonds2

About 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile

3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (PubChem CID 158202532) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
PubChem CID158202532
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(C)c(C#N)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C19H14N6/c1-12-7-9-25(24-12)19-18(23-17(11-20)13(2)22-19)15-5-6-16-14(10-15)4-3-8-21-16/h3-10H,1-2H3
InChIKeyGBCOLFGTBVTWKB-UHFFFAOYSA-N
XLogP3.37
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile
CID 137430191
3-amino-5-(3,6-dimethylpyrazin-2-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430263
3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-amino-5-pyrimidin-4-yl-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137431828
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648
2-fluoro-3-(6-methyl-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 165020634
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137423686
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
4-methyl-3-quinolin-6-ylaniline
CID 81224667
2-hydroxy-5-quinolin-6-ylbenzonitrile
CID 83130277
6-(3-methylphenyl)quinoline
CID 4185278

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The IUPAC name of 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile (CID 158202532) is 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The canonical SMILES for 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is Cc1ccn(-c2nc(C)c(C#N)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
The InChIKey is GBCOLFGTBVTWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-12-7-9-25(24-12)19-18(23-17(11-20)13(2)22-19)15-5-6-16-14(10-15)4-3-8-21-16/h3-10H,1-2H3.
What are the key properties of 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile?
3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylpyrazol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 158202532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).