3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C22H20ClN7O — CID 137430748

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H20ClN7O/c1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14/h3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31)
InChIKeyHOOAOBFGQYVCGZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.61
Rot. Bonds4

About 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 137430748) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID137430748
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C22H20ClN7O/c1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14/h3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31)
InChIKeyHOOAOBFGQYVCGZ-UHFFFAOYSA-N
XLogP3.61
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclohexyl-5-phenylpyrazine-2-carboxamide
CID 137430775
3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430996
5-(8-chloroquinolin-6-yl)-3-(2-cyclopentylethylsulfanyl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137431256
(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430553
3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430160
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195
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
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 160738845

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 137430748) is 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cn1ccc(-c2nc(N)c(C(=O)NC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is HOOAOBFGQYVCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-30-9-7-16(29-30)19-18(13-10-12-4-3-8-25-17(12)15(23)11-13)27-20(21(24)28-19)22(31)26-14-5-2-6-14/h3-4,7-11,14H,2,5-6H2,1H3,(H2,24,28)(H,26,31).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 137430748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).