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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Related Compounds

2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 10754789
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-propan-2-ylquinolin-3-yl)urea
CID 142425488
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-methylquinolin-3-yl)urea
CID 142425498
Malt1-IN-8
CID 142425503
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopentylquinolin-3-yl)urea
CID 142425524
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(4-cyclopropylquinolin-3-yl)urea
CID 142425530
8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine
CID 10565773
2-(4-Chloro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-ylamine
CID 10613752
3-Chloro-4-[4-(3-pyridin-2-ylpyrazol-1-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
CID 44589330
2-chloro-4-[1-[(2S)-2-(quinolin-2-ylamino)propyl]pyrazol-3-yl]benzonitrile
CID 155514533
6-[[8-Chloro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666523
6-[1-(4-Chlorophenyl)triazol-4-yl]quinazoline-2,4-diamine
CID 163214059

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).