1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine

C98H84Cl5N27O4S2 — CID 157127258

IUPAC1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3oncc3c2)n1.Cc1cnc(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3nc[nH]c3c2)s1.Cn1ccc(-c2nc(N)c(C3CCCC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2cc(Cl)c3scnc3c2)nc1C1CC1
InChIInChI=1S/C21H17ClN4O.C20H19ClN6O.C19H17ClN6O.C19H17ClN6S.C19H14ClN5OS/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14;1-27-7-6-14(26-27)18-16(12-8-13(21)19-15(9-12)23-10-28-19)24-17(20(22)25-18)11-4-2-3-5-11;1-10-5-6-26(25-10)19-16(23-15(18(21)24-19)11-3-2-4-11)12-7-13-9-22-27-17(13)14(20)8-12;1-9-7-22-19(27-9)17-14(25-15(18(21)26-17)10-3-2-4-10)11-5-12(20)16-13(6-11)23-8-24-16;20-12-7-11(8-13-17(12)27-9-22-13)16-19(25-6-2-1-3-14(25)26)24-18(21)15(23-16)10-4-5-10/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26);6-11H,2-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24);5-8,10H,2-4H2,1H3,(H2,21,26)(H,23,24);1-3,6-10H,4-5H2,(H2,21,24)
InChIKeyAIQOCRFEIRWUPY-UHFFFAOYSA-N
MW1945.33 g/mol
LogP23.21
Rot. Bonds15

About 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine

1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine (PubChem CID 157127258) has the molecular formula C98H84Cl5N27O4S2 and a molecular weight of 1945.33 g/mol. Its IUPAC name is 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
PubChem CID157127258
Molecular FormulaC98H84Cl5N27O4S2
Molecular Weight1945.33 g/mol
Exact Mass1941.51
IUPAC Name1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3oncc3c2)n1.Cc1cnc(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3nc[nH]c3c2)s1.Cn1ccc(-c2nc(N)c(C3CCCC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2cc(Cl)c3scnc3c2)nc1C1CC1
InChIInChI=1S/C21H17ClN4O.C20H19ClN6O.C19H17ClN6O.C19H17ClN6S.C19H14ClN5OS/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14;1-27-7-6-14(26-27)18-16(12-8-13(21)19-15(9-12)23-10-28-19)24-17(20(22)25-18)11-4-2-3-5-11;1-10-5-6-26(25-10)19-16(23-15(18(21)24-19)11-3-2-4-11)12-7-13-9-22-27-17(13)14(20)8-12;1-9-7-22-19(27-9)17-14(25-15(18(21)26-17)10-3-2-4-10)11-5-12(20)16-13(6-11)23-8-24-16;20-12-7-11(8-13-17(12)27-9-22-13)16-19(25-6-2-1-3-14(25)26)24-18(21)15(23-16)10-4-5-10/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26);6-11H,2-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24);5-8,10H,2-4H2,1H3,(H2,21,26)(H,23,24);1-3,6-10H,4-5H2,(H2,21,24)
InChIKeyAIQOCRFEIRWUPY-UHFFFAOYSA-N
XLogP23.21
TPSA449.19 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.33
LogP ≤ 523.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The IUPAC name of 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine (CID 157127258) is 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine.
What is the SMILES notation for 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The canonical SMILES for 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine is Cc1ccc(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3oncc3c2)n1.Cc1cnc(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3nc[nH]c3c2)s1.Cn1ccc(-c2nc(N)c(C3CCCC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2cc(Cl)c3scnc3c2)nc1C1CC1.
What is the InChIKey of 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
The InChIKey is AIQOCRFEIRWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O.C20H19ClN6O.C19H17ClN6O.C19H17ClN6S.C19H14ClN5OS/c1-11-4-7-16(27-11)20-18(25-19(12-5-6-12)21(23)26-20)14-9-13-3-2-8-24-17(13)15(22)10-14;1-27-7-6-14(26-27)18-16(12-8-13(21)19-15(9-12)23-10-28-19)24-17(20(22)25-18)11-4-2-3-5-11;1-10-5-6-26(25-10)19-16(23-15(18(21)24-19)11-3-2-4-11)12-7-13-9-22-27-17(13)14(20)8-12;1-9-7-22-19(27-9)17-14(25-15(18(21)26-17)10-3-2-4-10)11-5-12(20)16-13(6-11)23-8-24-16;20-12-7-11(8-13-17(12)27-9-22-13)16-19(25-6-2-1-3-14(25)26)24-18(21)15(23-16)10-4-5-10/h2-4,7-10,12H,5-6H2,1H3,(H2,23,26);6-11H,2-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24);5-8,10H,2-4H2,1H3,(H2,21,26)(H,23,24);1-3,6-10H,4-5H2,(H2,21,24).
What are the key properties of 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine?
1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine has a molecular weight of 1945.33 g/mol, XLogP of 23.21, 15 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine is sourced from PubChem (CID 157127258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).