3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile

C18H12ClN7 — CID 137423835

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H12ClN7/c1-10-4-6-26(25-10)18-16(23-14(9-20)17(21)24-18)12-7-11-3-2-5-22-15(11)13(19)8-12/h2-8H,1H3,(H2,21,24)
InChIKeyADTGYKPAADQGOA-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.29
Rot. Bonds2

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile

3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile (PubChem CID 137423835) has the molecular formula C18H12ClN7 and a molecular weight of 361.80 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile
PubChem CID137423835
Molecular FormulaC18H12ClN7
Molecular Weight361.80 g/mol
Exact Mass361.08
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C18H12ClN7/c1-10-4-6-26(25-10)18-16(23-14(9-20)17(21)24-18)12-7-11-3-2-5-22-15(11)13(19)8-12/h2-8H,1H3,(H2,21,24)
InChIKeyADTGYKPAADQGOA-UHFFFAOYSA-N
XLogP3.29
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile (CID 137423835) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile is Cc1ccn(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile?
The InChIKey is ADTGYKPAADQGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN7/c1-10-4-6-26(25-10)18-16(23-14(9-20)17(21)24-18)12-7-11-3-2-5-22-15(11)13(19)8-12/h2-8H,1H3,(H2,21,24).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile?
3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile has a molecular weight of 361.80 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137423835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).