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

C23H23ClN6O — CID 137430323

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H23ClN6O/c1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27)
InChIKeyFKGARPKEWLRNIA-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.04
Rot. Bonds4

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

5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137430323) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
PubChem CID137430323
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
SMILESCn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H23ClN6O/c1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27)
InChIKeyFKGARPKEWLRNIA-UHFFFAOYSA-N
XLogP5.04
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.04
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-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137430323) is 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is Cn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
The InChIKey is FKGARPKEWLRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 434.93 g/mol, XLogP of 5.04, 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-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137430323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).