[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine

C143H180Cl9F4N39O3S8 — CID 157486335

IUPAC[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine
SMILESCC1(C)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(N)c3C(F)(F)F)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC(=O)CCCl)c3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC=O)c3Cl)c(N)n2)CC1.CC1(CO)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CNC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C20H25Cl2N5OS.C18H22Cl2N4S.C18H22ClN5OS.C18H24ClN5S.C18H22F3N5S.C17H20ClFN4S.C17H23ClN6S.C17H22ClN5OS/c1-20(2)7-10-27(11-8-20)15-12-24-19(18(23)26-15)29-14-5-3-4-13(17(14)22)25-16(28)6-9-21;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(19)15(13)20;1-18(2)6-8-24(9-7-18)14-10-21-17(16(20)23-14)26-13-5-3-4-12(15(13)19)22-11-25;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(20)15(13)19;1-17(2)6-8-26(9-7-17)13-10-24-16(15(23)25-13)27-12-5-3-4-11(22)14(12)18(19,20)21;1-17(2)5-7-23(8-6-17)14-10-21-16(15(20)22-14)24-13-4-3-11(19)9-12(13)18;1-17(21-2)6-8-24(9-7-17)13-10-22-16(15(20)23-13)25-12-5-3-4-11(19)14(12)18;1-17(10-24)5-7-23(8-6-17)13-9-21-16(15(20)22-13)25-12-4-2-3-11(19)14(12)18/h3-5,12H,6-11H2,1-2H3,(H2,23,26)(H,25,28);4-6,11H,3,7-10H2,1-2H3,(H2,21,23);3-5,10-11H,6-9H2,1-2H3,(H2,20,23)(H,22,25);4-6,11H,3,7-10,20H2,1-2H3,(H2,21,23);3-5,10H,6-9,22H2,1-2H3,(H2,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,20,22);3-5,10,21H,6-9,19H2,1-2H3,(H2,20,23);2-4,9,24H,5-8,10,19H2,1H3,(H2,20,22)
InChIKeyBWTFWAVDYGFZQC-UHFFFAOYSA-N
MW3144.89 g/mol
LogP34.25
Rot. Bonds33

About [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine

[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine (PubChem CID 157486335) has the molecular formula C143H180Cl9F4N39O3S8 and a molecular weight of 3144.89 g/mol. Its IUPAC name is [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine
PubChem CID157486335
Molecular FormulaC143H180Cl9F4N39O3S8
Molecular Weight3144.89 g/mol
Exact Mass3138.00
IUPAC Name[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine
SMILESCC1(C)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(N)c3C(F)(F)F)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC(=O)CCCl)c3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC=O)c3Cl)c(N)n2)CC1.CC1(CO)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CNC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C20H25Cl2N5OS.C18H22Cl2N4S.C18H22ClN5OS.C18H24ClN5S.C18H22F3N5S.C17H20ClFN4S.C17H23ClN6S.C17H22ClN5OS/c1-20(2)7-10-27(11-8-20)15-12-24-19(18(23)26-15)29-14-5-3-4-13(17(14)22)25-16(28)6-9-21;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(19)15(13)20;1-18(2)6-8-24(9-7-18)14-10-21-17(16(20)23-14)26-13-5-3-4-12(15(13)19)22-11-25;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(20)15(13)19;1-17(2)6-8-26(9-7-17)13-10-24-16(15(23)25-13)27-12-5-3-4-11(22)14(12)18(19,20)21;1-17(2)5-7-23(8-6-17)14-10-21-16(15(20)22-14)24-13-4-3-11(19)9-12(13)18;1-17(21-2)6-8-24(9-7-17)13-10-22-16(15(20)23-13)25-12-5-3-4-11(19)14(12)18;1-17(10-24)5-7-23(8-6-17)13-9-21-16(15(20)22-13)25-12-4-2-3-11(19)14(12)18/h3-5,12H,6-11H2,1-2H3,(H2,23,26)(H,25,28);4-6,11H,3,7-10H2,1-2H3,(H2,21,23);3-5,10-11H,6-9H2,1-2H3,(H2,20,23)(H,22,25);4-6,11H,3,7-10,20H2,1-2H3,(H2,21,23);3-5,10H,6-9,22H2,1-2H3,(H2,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,20,22);3-5,10,21H,6-9,19H2,1-2H3,(H2,20,23);2-4,9,24H,5-8,10,19H2,1H3,(H2,20,22)
InChIKeyBWTFWAVDYGFZQC-UHFFFAOYSA-N
XLogP34.25
TPSA634.86 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003144.89
LogP ≤ 534.25
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[3-amino-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine
CID 158330985
3-(3-Amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;5-amino-6-(2,3-dichlorophenyl)sulfanyl-3-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxamide;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[3-amino-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine
CID 158914173
[4-amino-1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]piperidin-4-yl]methanol;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2-chlorophenyl)sulfanyl-1,2,4-triazin-5-amine;3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)sulfanyl-1,2,4-triazin-5-amine
CID 158389416

Frequently Asked Questions

What is the IUPAC name of [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine?
The IUPAC name of [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine (CID 157486335) is [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine.
What is the SMILES notation for [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine?
The canonical SMILES for [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine is CC1(C)CCN(c2cnc(Sc3ccc(F)cc3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(N)c3C(F)(F)F)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC(=O)CCCl)c3Cl)c(N)n2)CC1.CC1(C)CCN(c2cnc(Sc3cccc(NC=O)c3Cl)c(N)n2)CC1.CC1(CO)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)CC1.CCC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.CNC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine?
The InChIKey is BWTFWAVDYGFZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5OS.C18H22Cl2N4S.C18H22ClN5OS.C18H24ClN5S.C18H22F3N5S.C17H20ClFN4S.C17H23ClN6S.C17H22ClN5OS/c1-20(2)7-10-27(11-8-20)15-12-24-19(18(23)26-15)29-14-5-3-4-13(17(14)22)25-16(28)6-9-21;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(19)15(13)20;1-18(2)6-8-24(9-7-18)14-10-21-17(16(20)23-14)26-13-5-3-4-12(15(13)19)22-11-25;1-3-18(2)7-9-24(10-8-18)14-11-22-17(16(21)23-14)25-13-6-4-5-12(20)15(13)19;1-17(2)6-8-26(9-7-17)13-10-24-16(15(23)25-13)27-12-5-3-4-11(22)14(12)18(19,20)21;1-17(2)5-7-23(8-6-17)14-10-21-16(15(20)22-14)24-13-4-3-11(19)9-12(13)18;1-17(21-2)6-8-24(9-7-17)13-10-22-16(15(20)23-13)25-12-5-3-4-11(19)14(12)18;1-17(10-24)5-7-23(8-6-17)13-9-21-16(15(20)22-13)25-12-4-2-3-11(19)14(12)18/h3-5,12H,6-11H2,1-2H3,(H2,23,26)(H,25,28);4-6,11H,3,7-10H2,1-2H3,(H2,21,23);3-5,10-11H,6-9H2,1-2H3,(H2,20,23)(H,22,25);4-6,11H,3,7-10,20H2,1-2H3,(H2,21,23);3-5,10H,6-9,22H2,1-2H3,(H2,23,25);3-4,9-10H,5-8H2,1-2H3,(H2,20,22);3-5,10,21H,6-9,19H2,1-2H3,(H2,20,23);2-4,9,24H,5-8,10,19H2,1H3,(H2,20,22).
What are the key properties of [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine?
[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine has a molecular weight of 3144.89 g/mol, XLogP of 34.25, 33 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;3-(3-amino-2-chlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-chloropropanamide;N-[3-[3-amino-5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]formamide;3-[3-amino-2-(trifluoromethyl)phenyl]sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2-chloro-4-fluorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-(2,3-dichlorophenyl)sulfanyl-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 157486335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).