3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine

C102H80Cl2N26O2S — CID 157489441

IUPAC3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCN1CCN(c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1.Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1N1CCOCC1
InChIInChI=1S/C24H24N6.C23H21N5O.C21H13ClN4O.C18H11ClN6.C16H11N5S/c1-29-12-14-30(15-13-29)24-23(25)27-21(17-6-3-2-4-7-17)22(28-24)19-9-10-20-18(16-19)8-5-11-26-20;24-22-23(28-11-13-29-14-12-28)27-21(20(26-22)16-5-2-1-3-6-16)18-8-9-19-17(15-18)7-4-10-25-19;22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17;19-13-7-11(6-12-9-22-25-15(12)13)17-16(10-4-2-1-3-5-10)24-18(21)14(8-20)23-17;17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h2-11,16H,12-15H2,1H3,(H2,25,27);1-10,15H,11-14H2,(H2,24,26);1-11H,(H2,23,26);1-7,9H,(H2,21,24)(H,22,25);1-9H,(H2,17,21)
InChIKeyBXCFLKBFTGUMLT-UHFFFAOYSA-N
MW1804.91 g/mol
LogP20.00
Rot. Bonds12

About 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine

3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine (PubChem CID 157489441) has the molecular formula C102H80Cl2N26O2S and a molecular weight of 1804.91 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
PubChem CID157489441
Molecular FormulaC102H80Cl2N26O2S
Molecular Weight1804.91 g/mol
Exact Mass1802.61
IUPAC Name3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCN1CCN(c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1.Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1N1CCOCC1
InChIInChI=1S/C24H24N6.C23H21N5O.C21H13ClN4O.C18H11ClN6.C16H11N5S/c1-29-12-14-30(15-13-29)24-23(25)27-21(17-6-3-2-4-7-17)22(28-24)19-9-10-20-18(16-19)8-5-11-26-20;24-22-23(28-11-13-29-14-12-28)27-21(20(26-22)16-5-2-1-3-6-16)18-8-9-19-17(15-18)7-4-10-25-19;22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17;19-13-7-11(6-12-9-22-25-15(12)13)17-16(10-4-2-1-3-5-10)24-18(21)14(8-20)23-17;17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h2-11,16H,12-15H2,1H3,(H2,25,27);1-10,15H,11-14H2,(H2,24,26);1-11H,(H2,23,26);1-7,9H,(H2,21,24)(H,22,25);1-9H,(H2,17,21)
InChIKeyBXCFLKBFTGUMLT-UHFFFAOYSA-N
XLogP20.00
TPSA408.01 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.91
LogP ≤ 520.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine (CID 157489441) is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine is CN1CCN(c2nc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(-c2cc3ccccc3o2)n1.Nc1cnc(-c2ccc3ncccc3c2)c(-c2nccs2)n1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1N1CCOCC1.
What is the InChIKey of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The InChIKey is BXCFLKBFTGUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6.C23H21N5O.C21H13ClN4O.C18H11ClN6.C16H11N5S/c1-29-12-14-30(15-13-29)24-23(25)27-21(17-6-3-2-4-7-17)22(28-24)19-9-10-20-18(16-19)8-5-11-26-20;24-22-23(28-11-13-29-14-12-28)27-21(20(26-22)16-5-2-1-3-6-16)18-8-9-19-17(15-18)7-4-10-25-19;22-15-9-14(8-13-5-3-7-24-19(13)15)20-21(26-18(23)11-25-20)17-10-12-4-1-2-6-16(12)27-17;19-13-7-11(6-12-9-22-25-15(12)13)17-16(10-4-2-1-3-5-10)24-18(21)14(8-20)23-17;17-13-9-20-14(15(21-13)16-19-6-7-22-16)11-3-4-12-10(8-11)2-1-5-18-12/h2-11,16H,12-15H2,1H3,(H2,25,27);1-10,15H,11-14H2,(H2,24,26);1-11H,(H2,23,26);1-7,9H,(H2,21,24)(H,22,25);1-9H,(H2,17,21).
What are the key properties of 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine has a molecular weight of 1804.91 g/mol, XLogP of 20.00, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;6-(1-benzofuran-2-yl)-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;3-(4-methylpiperazin-1-yl)-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;3-morpholin-4-yl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-quinolin-6-yl-6-(1,3-thiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 157489441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).