3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

C94H67Cl4F4N25O5S — CID 162210024

IUPAC3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H18ClFN6OS.C23H17ClFN7O2.2C23H16ClFN6O/c1-13-30-12-19(35-13)22-21(16-9-15-3-2-8-29-20(15)18(26)10-16)32-23(24(28)33-22)25(34)31-11-14-4-6-17(27)7-5-14;1-32-7-6-16(31-32)20-18(13-8-15(24)19-17(9-13)34-11-28-19)29-21(22(26)30-20)23(33)27-10-12-2-4-14(25)5-3-12;1-31-10-8-18(30-31)21-20(14-11-13-3-2-9-27-19(13)17(24)12-14)29-23(22(26)28-21)32-16-6-4-15(25)5-7-16;1-13-8-10-31(30-13)22-20(15-11-14-3-2-9-27-19(14)18(24)12-15)28-23(21(26)29-22)32-17-6-4-16(25)5-7-17/h2-10,12H,11H2,1H3,(H2,28,33)(H,31,34);2-9,11H,10H2,1H3,(H2,26,30)(H,27,33);2-12H,1H3,(H2,26,28);2-12H,1H3,(H2,26,29)
InChIKeyZSSJRSXJIPGTBI-UHFFFAOYSA-N
MW1876.61 g/mol
LogP20.03
Rot. Bonds18

About 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 162210024) has the molecular formula C94H67Cl4F4N25O5S and a molecular weight of 1876.61 g/mol. Its IUPAC name is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
PubChem CID162210024
Molecular FormulaC94H67Cl4F4N25O5S
Molecular Weight1876.61 g/mol
Exact Mass1873.42
IUPAC Name3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C25H18ClFN6OS.C23H17ClFN7O2.2C23H16ClFN6O/c1-13-30-12-19(35-13)22-21(16-9-15-3-2-8-29-20(15)18(26)10-16)32-23(24(28)33-22)25(34)31-11-14-4-6-17(27)7-5-14;1-32-7-6-16(31-32)20-18(13-8-15(24)19-17(9-13)34-11-28-19)29-21(22(26)30-20)23(33)27-10-12-2-4-14(25)5-3-12;1-31-10-8-18(30-31)21-20(14-11-13-3-2-9-27-19(13)17(24)12-14)29-23(22(26)28-21)32-16-6-4-15(25)5-7-16;1-13-8-10-31(30-13)22-20(15-11-14-3-2-9-27-19(14)18(24)12-15)28-23(21(26)29-22)32-17-6-4-16(25)5-7-17/h2-10,12H,11H2,1H3,(H2,28,33)(H,31,34);2-9,11H,10H2,1H3,(H2,26,30)(H,27,33);2-12H,1H3,(H2,26,28);2-12H,1H3,(H2,26,29)
InChIKeyZSSJRSXJIPGTBI-UHFFFAOYSA-N
XLogP20.03
TPSA414.91 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.61
LogP ≤ 520.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (CID 162210024) is 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is Cc1ccn(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(C(=O)NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.Cn1ccc(-c2nc(N)c(Oc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is ZSSJRSXJIPGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN6OS.C23H17ClFN7O2.2C23H16ClFN6O/c1-13-30-12-19(35-13)22-21(16-9-15-3-2-8-29-20(15)18(26)10-16)32-23(24(28)33-22)25(34)31-11-14-4-6-17(27)7-5-14;1-32-7-6-16(31-32)20-18(13-8-15(24)19-17(9-13)34-11-28-19)29-21(22(26)30-20)23(33)27-10-12-2-4-14(25)5-3-12;1-31-10-8-18(30-31)21-20(14-11-13-3-2-9-27-19(13)17(24)12-14)29-23(22(26)28-21)32-16-6-4-15(25)5-7-16;1-13-8-10-31(30-13)22-20(15-11-14-3-2-9-27-19(14)18(24)12-15)28-23(21(26)29-22)32-17-6-4-16(25)5-7-17/h2-10,12H,11H2,1H3,(H2,28,33)(H,31,34);2-9,11H,10H2,1H3,(H2,26,30)(H,27,33);2-12H,1H3,(H2,26,28);2-12H,1H3,(H2,26,29).
What are the key properties of 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 1876.61 g/mol, XLogP of 20.03, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-chloro-1,3-benzoxazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carboxamide;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(4-fluorophenoxy)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 162210024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).