5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine

C106H99Cl5N30O5 — CID 158652931

IUPAC5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H23ClN6O.C22H21ClN6O.C21H19ClN6O.C20H17ClN6O.C20H19ClN6O/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;1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15;1-28-9-7-16(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;1-27-8-6-15(26-27)18-17(25-20(19(22)24-18)28-13-4-5-13)12-9-11-3-2-7-23-16(11)14(21)10-12;1-11(2)28-20-19(22)24-18(15-6-8-27(3)26-15)17(25-20)13-9-12-5-4-7-23-16(12)14(21)10-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26);3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25);2-3,6-10,13H,4-5H2,1H3,(H2,22,24);4-11H,1-3H3,(H2,22,24)
InChIKeyIBTSSOCRVAEFAO-UHFFFAOYSA-N
MW2050.43 g/mol
LogP21.93
Rot. Bonds20

About 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine (PubChem CID 158652931) has the molecular formula C106H99Cl5N30O5 and a molecular weight of 2050.43 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine
PubChem CID158652931
Molecular FormulaC106H99Cl5N30O5
Molecular Weight2050.43 g/mol
Exact Mass2046.69
IUPAC Name5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C23H23ClN6O.C22H21ClN6O.C21H19ClN6O.C20H17ClN6O.C20H19ClN6O/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;1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15;1-28-9-7-16(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;1-27-8-6-15(26-27)18-17(25-20(19(22)24-18)28-13-4-5-13)12-9-11-3-2-7-23-16(11)14(21)10-12;1-11(2)28-20-19(22)24-18(15-6-8-27(3)26-15)17(25-20)13-9-12-5-4-7-23-16(12)14(21)10-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26);3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25);2-3,6-10,13H,4-5H2,1H3,(H2,22,24);4-11H,1-3H3,(H2,22,24)
InChIKeyIBTSSOCRVAEFAO-UHFFFAOYSA-N
XLogP21.93
TPSA458.70 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.43
LogP ≤ 521.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine with MolForge

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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;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine (CID 158652931) is 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine is CC(C)Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCCC3)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;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is IBTSSOCRVAEFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.C22H21ClN6O.C21H19ClN6O.C20H17ClN6O.C20H19ClN6O/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;1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15;1-28-9-7-16(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;1-27-8-6-15(26-27)18-17(25-20(19(22)24-18)28-13-4-5-13)12-9-11-3-2-7-23-16(11)14(21)10-12;1-11(2)28-20-19(22)24-18(15-6-8-27(3)26-15)17(25-20)13-9-12-5-4-7-23-16(12)14(21)10-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26);3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25);2-3,6-10,13H,4-5H2,1H3,(H2,22,24);4-11H,1-3H3,(H2,22,24).
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-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 2050.43 g/mol, XLogP of 21.93, 20 rotatable bonds, 5 hydrogen bond donors, and 35 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;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 158652931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).