4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine

C107H91Cl5N32O2S3 — CID 161017650

IUPAC4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine
SMILESCC(C)Sc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1.CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCc3ccc(C#N)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H18ClN7O.C25H22ClN7O.C20H19ClN6S.C19H17ClN6S.C18H15ClN6S/c1-33-10-8-20(32-33)23-22(18-11-17-3-2-9-29-21(17)19(26)12-18)31-25(24(28)30-23)34-14-16-6-4-15(13-27)5-7-16;1-3-18-7-6-15(13-29-18)14-34-25-24(27)30-23(20-8-10-33(2)32-20)22(31-25)17-11-16-5-4-9-28-21(16)19(26)12-17;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;1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11/h2-12H,14H2,1H3,(H2,28,30);4-13H,3,14H2,1-2H3,(H2,27,30);4-11H,1-3H3,(H2,22,24);4-10H,3H2,1-2H3,(H2,21,23);3-9H,1-2H3,(H2,20,22)
InChIKeyTXXZKSZCFNZJIR-UHFFFAOYSA-N
MW2130.59 g/mol
LogP22.96
Rot. Bonds22

About 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine

4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine (PubChem CID 161017650) has the molecular formula C107H91Cl5N32O2S3 and a molecular weight of 2130.59 g/mol. Its IUPAC name is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine.

Molecular Properties

Compound Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine
PubChem CID161017650
Molecular FormulaC107H91Cl5N32O2S3
Molecular Weight2130.59 g/mol
Exact Mass2126.56
IUPAC Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine
SMILESCC(C)Sc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1.CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCc3ccc(C#N)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H18ClN7O.C25H22ClN7O.C20H19ClN6S.C19H17ClN6S.C18H15ClN6S/c1-33-10-8-20(32-33)23-22(18-11-17-3-2-9-29-21(17)19(26)12-18)31-25(24(28)30-23)34-14-16-6-4-15(13-27)5-7-16;1-3-18-7-6-15(13-29-18)14-34-25-24(27)30-23(20-8-10-33(2)32-20)22(31-25)17-11-16-5-4-9-28-21(16)19(26)12-17;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;1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11/h2-12H,14H2,1H3,(H2,28,30);4-13H,3,14H2,1-2H3,(H2,27,30);4-11H,1-3H3,(H2,22,24);4-10H,3H2,1-2H3,(H2,21,23);3-9H,1-2H3,(H2,20,22)
InChIKeyTXXZKSZCFNZJIR-UHFFFAOYSA-N
XLogP22.96
TPSA467.69 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.59
LogP ≤ 522.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 158404941
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 162228078
5-(8-Chloroquinolin-6-yl)-3-cyclobutylsulfanyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropylsulfanyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methylsulfanyl-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-propan-2-ylsulfanylpyrazin-2-amine
CID 160231528
5-(7-chloro-1H-indazol-5-yl)-3-cyclobutylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopropylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propan-2-ylsulfanylpyrazin-2-amine
CID 161807150

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine?
The IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine (CID 161017650) is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine.
What is the SMILES notation for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine?
The canonical SMILES for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine is CC(C)Sc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cn1.CSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OCc3ccc(C#N)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine?
The InChIKey is TXXZKSZCFNZJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN7O.C25H22ClN7O.C20H19ClN6S.C19H17ClN6S.C18H15ClN6S/c1-33-10-8-20(32-33)23-22(18-11-17-3-2-9-29-21(17)19(26)12-18)31-25(24(28)30-23)34-14-16-6-4-15(13-27)5-7-16;1-3-18-7-6-15(13-29-18)14-34-25-24(27)30-23(20-8-10-33(2)32-20)22(31-25)17-11-16-5-4-9-28-21(16)19(26)12-17;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;1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11/h2-12H,14H2,1H3,(H2,28,30);4-13H,3,14H2,1-2H3,(H2,27,30);4-11H,1-3H3,(H2,22,24);4-10H,3H2,1-2H3,(H2,21,23);3-9H,1-2H3,(H2,20,22).
What are the key properties of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine?
4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine has a molecular weight of 2130.59 g/mol, XLogP of 22.96, 22 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(6-ethyl-3-pyridinyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethylsulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-methylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanylpyrazin-2-amine is sourced from PubChem (CID 161017650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).