[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea

C19H13ClN8O — CID 137430386

IUPAC[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
SMILESCn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C19H13ClN8O/c1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8H,1H3,(H3,22,25,26,29)
InChIKeyDIYJIQFQIOCJHR-UHFFFAOYSA-N
MW404.82 g/mol
LogP3.11
Rot. Bonds3

About [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea

[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea (PubChem CID 137430386) has the molecular formula C19H13ClN8O and a molecular weight of 404.82 g/mol. Its IUPAC name is [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea.

Molecular Properties

Compound Name[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
PubChem CID137430386
Molecular FormulaC19H13ClN8O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC Name[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
SMILESCn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C19H13ClN8O/c1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8H,1H3,(H3,22,25,26,29)
InChIKeyDIYJIQFQIOCJHR-UHFFFAOYSA-N
XLogP3.11
TPSA135.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(cyclopentylmethyl)urea
CID 137431940
6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylmethylamino)pyrazine-2-carbonitrile
CID 137431058
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 137431126
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-2-(3-hydroxyazetidin-1-yl)acetamide
CID 137431428
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 137431124
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430996
(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430553

Frequently Asked Questions

What is the IUPAC name of [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea?
The IUPAC name of [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea (CID 137430386) is [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea.
What is the SMILES notation for [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea?
The canonical SMILES for [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea is Cn1ccc(-c2nc(NC(N)=O)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea?
The InChIKey is DIYJIQFQIOCJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN8O/c1-28-6-4-13(27-28)17-16(24-14(9-21)18(25-17)26-19(22)29)11-7-10-3-2-5-23-15(10)12(20)8-11/h2-8H,1H3,(H3,22,25,26,29).
What are the key properties of [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea?
[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea has a molecular weight of 404.82 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea is sourced from PubChem (CID 137430386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).