4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

C130H99Cl5F4N24O5 — CID 159763296

IUPAC4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1
InChIInChI=1S/C27H18ClN5O.C26H19ClF3N5O.C26H18ClFN4O.C26H26ClN5O.C25H18ClN5O/c28-22-14-21(13-20-7-4-12-31-23(20)22)25-24(19-5-2-1-3-6-19)32-26(30)27(33-25)34-16-18-10-8-17(15-29)9-11-18;27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16;1-32-12-9-17(10-13-32)16-33-26-25(28)30-23(18-6-3-2-4-7-18)24(31-26)20-14-19-8-5-11-29-22(19)21(27)15-20;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,16H2,(H2,30,32);1-10,13-15H,11-12H2,(H2,31,33);1-14H,15H2,(H2,29,31);2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H2,28,30);1-14H,15H2,(H2,27,30)
InChIKeyNFEFWXORSZXWPD-UHFFFAOYSA-N
MW2330.64 g/mol
LogP29.73
Rot. Bonds26

About 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 159763296) has the molecular formula C130H99Cl5F4N24O5 and a molecular weight of 2330.64 g/mol. Its IUPAC name is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
PubChem CID159763296
Molecular FormulaC130H99Cl5F4N24O5
Molecular Weight2330.64 g/mol
Exact Mass2326.66
IUPAC Name4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1
InChIInChI=1S/C27H18ClN5O.C26H19ClF3N5O.C26H18ClFN4O.C26H26ClN5O.C25H18ClN5O/c28-22-14-21(13-20-7-4-12-31-23(20)22)25-24(19-5-2-1-3-6-19)32-26(30)27(33-25)34-16-18-10-8-17(15-29)9-11-18;27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16;1-32-12-9-17(10-13-32)16-33-26-25(28)30-23(18-6-3-2-4-7-18)24(31-26)20-14-19-8-5-11-29-22(19)21(27)15-20;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,16H2,(H2,30,32);1-10,13-15H,11-12H2,(H2,31,33);1-14H,15H2,(H2,29,31);2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H2,28,30);1-14H,15H2,(H2,27,30)
InChIKeyNFEFWXORSZXWPD-UHFFFAOYSA-N
XLogP29.73
TPSA414.45 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms168
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.64
LogP ≤ 529.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The IUPAC name of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (CID 159763296) is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
What is the SMILES notation for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The canonical SMILES for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1.
What is the InChIKey of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The InChIKey is NFEFWXORSZXWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5O.C26H19ClF3N5O.C26H18ClFN4O.C26H26ClN5O.C25H18ClN5O/c28-22-14-21(13-20-7-4-12-31-23(20)22)25-24(19-5-2-1-3-6-19)32-26(30)27(33-25)34-16-18-10-8-17(15-29)9-11-18;27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16;1-32-12-9-17(10-13-32)16-33-26-25(28)30-23(18-6-3-2-4-7-18)24(31-26)20-14-19-8-5-11-29-22(19)21(27)15-20;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,16H2,(H2,30,32);1-10,13-15H,11-12H2,(H2,31,33);1-14H,15H2,(H2,29,31);2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H2,28,30);1-14H,15H2,(H2,27,30).
What are the key properties of 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine has a molecular weight of 2330.64 g/mol, XLogP of 29.73, 26 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is sourced from PubChem (CID 159763296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).