3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile

C19H14ClN7 — CID 137430611

IUPAC3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
SMILESCc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C19H14ClN7/c1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16/h3-8H,1-2H3,(H2,22,25)
InChIKeyAZMJLDPGIBRQAH-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.51
Rot. Bonds2

About 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile

3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile (PubChem CID 137430611) has the molecular formula C19H14ClN7 and a molecular weight of 375.82 g/mol. Its IUPAC name is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
PubChem CID137430611
Molecular FormulaC19H14ClN7
Molecular Weight375.82 g/mol
Exact Mass375.10
IUPAC Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
SMILESCc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12
InChIInChI=1S/C19H14ClN7/c1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16/h3-8H,1-2H3,(H2,22,25)
InChIKeyAZMJLDPGIBRQAH-UHFFFAOYSA-N
XLogP3.51
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.51
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-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile (CID 137430611) is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile is Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccn(C)n3)cc12.
What is the InChIKey of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
The InChIKey is AZMJLDPGIBRQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7/c1-10-3-5-23-17-12(10)7-11(8-13(17)20)16-18(14-4-6-27(2)26-14)25-19(22)15(9-21)24-16/h3-8H,1-2H3,(H2,22,25).
What are the key properties of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile?
3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile has a molecular weight of 375.82 g/mol, XLogP of 3.51, 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-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 137430611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).