3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

C95H83Cl4N27O5 — CID 159901275

IUPAC3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
SMILESCOc1ccc(CCNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccnc2c(Cl)cc(-c3[nH]c(=O)c(N)nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc(N)c(C(=O)NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H22ClN7O2.C26H24ClN7O.C25H22ClN7O.C18H15ClN6O/c1-34-12-9-20(33-34)23-22(17-13-16-3-2-10-29-21(16)19(27)14-17)31-24(25(28)32-23)26(36)30-11-8-15-4-6-18(35)7-5-15;1-34-13-10-21(33-34)24-23(18-14-17-4-3-11-29-22(17)20(27)15-18)32-26(25(28)31-24)30-12-9-16-5-7-19(35-2)8-6-16;1-33-12-9-20(32-33)23-22(17-13-16-3-2-10-28-21(16)19(26)14-17)31-25(24(27)30-23)29-11-8-15-4-6-18(34)7-5-15;1-9-3-5-21-15-11(9)7-10(8-12(15)19)14-16(13-4-6-25(2)24-13)22-17(20)18(26)23-14/h2-7,9-10,12-14,35H,8,11H2,1H3,(H2,28,32)(H,30,36);3-8,10-11,13-15H,9,12H2,1-2H3,(H2,28,31)(H,30,32);2-7,9-10,12-14,34H,8,11H2,1H3,(H2,27,30)(H,29,31);3-8H,1-2H3,(H2,20,22)(H,23,26)
InChIKeyNVZIMMNVYJVEIF-UHFFFAOYSA-N
MW1824.70 g/mol
LogP16.61
Rot. Bonds21

About 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (PubChem CID 159901275) has the molecular formula C95H83Cl4N27O5 and a molecular weight of 1824.70 g/mol. Its IUPAC name is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
PubChem CID159901275
Molecular FormulaC95H83Cl4N27O5
Molecular Weight1824.70 g/mol
Exact Mass1821.58
IUPAC Name3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
SMILESCOc1ccc(CCNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccnc2c(Cl)cc(-c3[nH]c(=O)c(N)nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc(N)c(C(=O)NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C26H22ClN7O2.C26H24ClN7O.C25H22ClN7O.C18H15ClN6O/c1-34-12-9-20(33-34)23-22(17-13-16-3-2-10-29-21(16)19(27)14-17)31-24(25(28)32-23)26(36)30-11-8-15-4-6-18(35)7-5-15;1-34-13-10-21(33-34)24-23(18-14-17-4-3-11-29-22(17)20(27)15-18)32-26(25(28)31-24)30-12-9-16-5-7-19(35-2)8-6-16;1-33-12-9-20(32-33)23-22(17-13-16-3-2-10-28-21(16)19(26)14-17)31-25(24(27)30-23)29-11-8-15-4-6-18(34)7-5-15;1-9-3-5-21-15-11(9)7-10(8-12(15)19)14-16(13-4-6-25(2)24-13)22-17(20)18(26)23-14/h2-7,9-10,12-14,35H,8,11H2,1H3,(H2,28,32)(H,30,36);3-8,10-11,13-15H,9,12H2,1-2H3,(H2,28,31)(H,30,32);2-7,9-10,12-14,34H,8,11H2,1H3,(H2,27,30)(H,29,31);3-8H,1-2H3,(H2,20,22)(H,23,26)
InChIKeyNVZIMMNVYJVEIF-UHFFFAOYSA-N
XLogP16.61
TPSA452.86 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001824.70
LogP ≤ 516.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine with MolForge

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Related Compounds

3-amino-6-(8-chloroquinolin-6-yl)-N-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430751
(1-methylpyrrol-3-yl)methyl 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430553
3-amino-6-(8-chloroquinolin-6-yl)-N-cyclobutyl-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430748
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-N-(oxetan-3-yl)pyrazine-2-carboxamide
CID 137430754
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 137431126
(1-methylpyrrol-3-yl) 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxylate
CID 137430996
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 137431124
3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430160
3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 137430736
3-amino-N-isoquinolin-1-yl-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658312
[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]urea
CID 137430386

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (CID 159901275) is 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is COc1ccc(CCNc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cc1ccnc2c(Cl)cc(-c3[nH]c(=O)c(N)nc3-c3ccn(C)n3)cc12.Cn1ccc(-c2nc(N)c(C(=O)NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCCc3ccc(O)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
The InChIKey is NVZIMMNVYJVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN7O2.C26H24ClN7O.C25H22ClN7O.C18H15ClN6O/c1-34-12-9-20(33-34)23-22(17-13-16-3-2-10-29-21(16)19(27)14-17)31-24(25(28)32-23)26(36)30-11-8-15-4-6-18(35)7-5-15;1-34-13-10-21(33-34)24-23(18-14-17-4-3-11-29-22(17)20(27)15-18)32-26(25(28)31-24)30-12-9-16-5-7-19(35-2)8-6-16;1-33-12-9-20(32-33)23-22(17-13-16-3-2-10-28-21(16)19(26)14-17)31-25(24(27)30-23)29-11-8-15-4-6-18(34)7-5-15;1-9-3-5-21-15-11(9)7-10(8-12(15)19)14-16(13-4-6-25(2)24-13)22-17(20)18(26)23-14/h2-7,9-10,12-14,35H,8,11H2,1H3,(H2,28,32)(H,30,36);3-8,10-11,13-15H,9,12H2,1-2H3,(H2,28,31)(H,30,32);2-7,9-10,12-14,34H,8,11H2,1H3,(H2,27,30)(H,29,31);3-8H,1-2H3,(H2,20,22)(H,23,26).
What are the key properties of 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?
3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine has a molecular weight of 1824.70 g/mol, XLogP of 16.61, 21 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;4-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]phenol;5-(8-chloroquinolin-6-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 159901275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).