4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane

C86H69Cl5N28S — CID 161477103

IUPAC4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane
SMILESC.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-n2ccc(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)n1.Cc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N
InChIInChI=1S/C19H13ClN6.C18H14ClN5.2C16H13ClN6.C16H12ClN5S.CH4/c1-11-16(10-21)24-18(19(23-11)15-5-7-26(2)25-15)13-8-12-4-3-6-22-17(12)14(20)9-13;1-11-10-21-17(18(22-11)15-5-7-24(2)23-15)13-8-12-4-3-6-20-16(12)14(19)9-13;1-9-7-18-15(16(20-9)13-3-4-23(2)22-13)10-5-11-8-19-21-14(11)12(17)6-10;1-9-3-4-23(22-9)16-15(18-7-10(2)20-16)11-5-12-8-19-21-14(12)13(17)6-11;1-9-7-18-14(16(20-9)12-3-4-22(2)21-12)10-5-11(17)15-13(6-10)23-8-19-15;/h3-9H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3,(H,19,21);3-8H,1-2H3;1H4
InChIKeyWDVZXGKMKUBMMV-UHFFFAOYSA-N
MW1704.03 g/mol
LogP19.59
Rot. Bonds10

About 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane

4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane (PubChem CID 161477103) has the molecular formula C86H69Cl5N28S and a molecular weight of 1704.03 g/mol. Its IUPAC name is 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane.

Molecular Properties

Compound Name4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane
PubChem CID161477103
Molecular FormulaC86H69Cl5N28S
Molecular Weight1704.03 g/mol
Exact Mass1700.44
IUPAC Name4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane
SMILESC.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-n2ccc(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)n1.Cc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N
InChIInChI=1S/C19H13ClN6.C18H14ClN5.2C16H13ClN6.C16H12ClN5S.CH4/c1-11-16(10-21)24-18(19(23-11)15-5-7-26(2)25-15)13-8-12-4-3-6-22-17(12)14(20)9-13;1-11-10-21-17(18(22-11)15-5-7-24(2)23-15)13-8-12-4-3-6-20-16(12)14(19)9-13;1-9-7-18-15(16(20-9)13-3-4-23(2)22-13)10-5-11-8-19-21-14(11)12(17)6-10;1-9-3-4-23(22-9)16-15(18-7-10(2)20-16)11-5-12-8-19-21-14(12)13(17)6-11;1-9-7-18-14(16(20-9)12-3-4-22(2)21-12)10-5-11(17)15-13(6-10)23-8-19-15;/h3-9H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3,(H,19,21);3-8H,1-2H3;1H4
InChIKeyWDVZXGKMKUBMMV-UHFFFAOYSA-N
XLogP19.59
TPSA337.82 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.03
LogP ≤ 519.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane?
The IUPAC name of 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane (CID 161477103) is 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane.
What is the SMILES notation for 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane?
The canonical SMILES for 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane is C.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-n2ccc(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)n1.Cc1cnc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)n1.Cc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.
What is the InChIKey of 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane?
The InChIKey is WDVZXGKMKUBMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6.C18H14ClN5.2C16H13ClN6.C16H12ClN5S.CH4/c1-11-16(10-21)24-18(19(23-11)15-5-7-26(2)25-15)13-8-12-4-3-6-22-17(12)14(20)9-13;1-11-10-21-17(18(22-11)15-5-7-24(2)23-15)13-8-12-4-3-6-20-16(12)14(19)9-13;1-9-7-18-15(16(20-9)13-3-4-23(2)22-13)10-5-11-8-19-21-14(11)12(17)6-10;1-9-3-4-23(22-9)16-15(18-7-10(2)20-16)11-5-12-8-19-21-14(12)13(17)6-11;1-9-7-18-14(16(20-9)12-3-4-22(2)21-12)10-5-11(17)15-13(6-10)23-8-19-15;/h3-9H,1-2H3;3-10H,1-2H3;2*3-8H,1-2H3,(H,19,21);3-8H,1-2H3;1H4.
What are the key properties of 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane?
4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane has a molecular weight of 1704.03 g/mol, XLogP of 19.59, 10 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1,3-benzothiazole;7-chloro-5-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-1H-indazole;7-chloro-5-[5-methyl-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-1H-indazole;8-chloro-6-[5-methyl-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]quinoline;6-(8-chloroquinolin-6-yl)-3-methyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;methane is sourced from PubChem (CID 161477103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).