5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C21H19ClN6O — CID 137430324

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H19ClN6O/c1-28-9-7-16(27-28)19-18(26-21(20(23)25-19)29-14-5-2-6-14)13-10-12-4-3-8-24-17(12)15(22)11-13/h3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25)
InChIKeyBLHOGUJUKQKUIE-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.26
Rot. Bonds4

About 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430324) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430324
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H19ClN6O/c1-28-9-7-16(27-28)19-18(26-21(20(23)25-19)29-14-5-2-6-14)13-10-12-4-3-8-24-17(12)15(22)11-13/h3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25)
InChIKeyBLHOGUJUKQKUIE-UHFFFAOYSA-N
XLogP4.26
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430324) is 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is BLHOGUJUKQKUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-28-9-7-16(27-28)19-18(26-21(20(23)25-19)29-14-5-2-6-14)13-10-12-4-3-8-24-17(12)15(22)11-13/h3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 406.88 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).