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

C24H25ClN6O — CID 137431266

IUPAC5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H25ClN6O/c1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-27-20(16)18(25)13-17)29-24(23(26)28-22)32-14-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7,14H2,1H3,(H2,26,28)
InChIKeyYDTVZIFEEKLALX-UHFFFAOYSA-N
MW448.96 g/mol
LogP5.29
Rot. Bonds5

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

5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431266) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137431266
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OCC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H25ClN6O/c1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-27-20(16)18(25)13-17)29-24(23(26)28-22)32-14-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7,14H2,1H3,(H2,26,28)
InChIKeyYDTVZIFEEKLALX-UHFFFAOYSA-N
XLogP5.29
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.96
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(8-Chloro-6-quinolinyl)-6-(1-methyl-1H-pyrazol-3-yl)-2-pyrazinamine
CID 137423685
5-(8-Chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137423783
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile
CID 137423788
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 137430566
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430568
5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430573
5-(8-Chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430731
5-(8-Chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137430744
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 137430863
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine
CID 137431193
5-(8-Chloroquinolin-6-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137431194
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 137431195

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431266) is 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OCC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is YDTVZIFEEKLALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-27-20(16)18(25)13-17)29-24(23(26)28-22)32-14-15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7,14H2,1H3,(H2,26,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 448.96 g/mol, XLogP of 5.29, 5 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-(cyclohexylmethoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).