(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine

C117H140BrCl11F4N36O5S7 — CID 157192511

IUPAC(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)nc2C(N)=O)CC1.CC1(N)CCN(c2cnc(Sc3ccc(Br)cc3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1.C[C@@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O.C[C@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O
InChIInChI=1S/C18H22Cl2N6OS.2C17H21Cl2N5OS.C17H19F4N5S.C16H19BrClN5S.2C16H19Cl2N5OS/c1-18(9-21)5-7-26(8-6-18)16-13(15(23)27)24-17(14(22)25-16)28-11-4-2-3-10(19)12(11)20;2*1-17(9-20)5-6-24(8-12(17)25)13-7-22-16(15(21)23-13)26-11-4-2-3-10(18)14(11)19;1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21;1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(17)8-11(12)18;2*1-16(20)5-6-23(8-11(16)24)12-7-21-15(14(19)22-12)25-10-4-2-3-9(17)13(10)18/h2-4H,5-9,21H2,1H3,(H2,22,25)(H2,23,27);2*2-4,7,12,25H,5-6,8-9,20H2,1H3,(H2,21,23);2-3,8-9H,4-7,23H2,1H3,(H2,22,25);2-3,8-9H,4-7,20H2,1H3,(H2,19,22);2*2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t;2*12-,17-;;;2*11-,16+/m.10..10/s1
InChIKeyAPWFAQXBCOQJDG-CLKZUHCPSA-N
MW2901.00 g/mol
LogP22.53
Rot. Bonds25

About (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine

(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (PubChem CID 157192511) has the molecular formula C117H140BrCl11F4N36O5S7 and a molecular weight of 2901.00 g/mol. Its IUPAC name is (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
PubChem CID157192511
Molecular FormulaC117H140BrCl11F4N36O5S7
Molecular Weight2901.00 g/mol
Exact Mass2892.55
IUPAC Name(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
SMILESCC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)nc2C(N)=O)CC1.CC1(N)CCN(c2cnc(Sc3ccc(Br)cc3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1.C[C@@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O.C[C@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O
InChIInChI=1S/C18H22Cl2N6OS.2C17H21Cl2N5OS.C17H19F4N5S.C16H19BrClN5S.2C16H19Cl2N5OS/c1-18(9-21)5-7-26(8-6-18)16-13(15(23)27)24-17(14(22)25-16)28-11-4-2-3-10(19)12(11)20;2*1-17(9-20)5-6-24(8-12(17)25)13-7-22-16(15(21)23-13)26-11-4-2-3-10(18)14(11)19;1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21;1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(17)8-11(12)18;2*1-16(20)5-6-23(8-11(16)24)12-7-21-15(14(19)22-12)25-10-4-2-3-9(17)13(10)18/h2-4H,5-9,21H2,1H3,(H2,22,25)(H2,23,27);2*2-4,7,12,25H,5-6,8-9,20H2,1H3,(H2,21,23);2-3,8-9H,4-7,23H2,1H3,(H2,22,25);2-3,8-9H,4-7,20H2,1H3,(H2,19,22);2*2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t;2*12-,17-;;;2*11-,16+/m.10..10/s1
InChIKeyAPWFAQXBCOQJDG-CLKZUHCPSA-N
XLogP22.53
TPSA691.43 Ų
H-Bond Donors19
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.00
LogP ≤ 522.53
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1047

Analyze (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-amino-6-(2,3-dichlorophenyl)sulfanyl-3-(4-ethyl-4-methylpiperidin-1-yl)pyrazine-2-carboxamide;(3S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4,4-dimethylpiperidin-3-ol;(3R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4,4-dimethylpiperidin-3-ol;(3S,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;3-(4-bromo-2-chlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;6-(4,4-dimethylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
CID 160243548
5-Amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-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-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(2-chloro-4-fluorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
CID 160814210
(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine
CID 161529458

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The IUPAC name of (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine (CID 157192511) is (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine.
What is the SMILES notation for (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The canonical SMILES for (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is CC1(CN)CCN(c2nc(N)c(Sc3cccc(Cl)c3Cl)nc2C(N)=O)CC1.CC1(N)CCN(c2cnc(Sc3ccc(Br)cc3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccc(F)cc3C(F)(F)F)c(N)n2)CC1.C[C@@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@@H]1O.C[C@]1(CN)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O.C[C@]1(N)CCN(c2cnc(Sc3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O.
What is the InChIKey of (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
The InChIKey is APWFAQXBCOQJDG-CLKZUHCPSA-N. The full InChI is InChI=1S/C18H22Cl2N6OS.2C17H21Cl2N5OS.C17H19F4N5S.C16H19BrClN5S.2C16H19Cl2N5OS/c1-18(9-21)5-7-26(8-6-18)16-13(15(23)27)24-17(14(22)25-16)28-11-4-2-3-10(19)12(11)20;2*1-17(9-20)5-6-24(8-12(17)25)13-7-22-16(15(21)23-13)26-11-4-2-3-10(18)14(11)19;1-16(23)4-6-26(7-5-16)13-9-24-15(14(22)25-13)27-12-3-2-10(18)8-11(12)17(19,20)21;1-16(20)4-6-23(7-5-16)13-9-21-15(14(19)22-13)24-12-3-2-10(17)8-11(12)18;2*1-16(20)5-6-23(8-11(16)24)12-7-21-15(14(19)22-12)25-10-4-2-3-9(17)13(10)18/h2-4H,5-9,21H2,1H3,(H2,22,25)(H2,23,27);2*2-4,7,12,25H,5-6,8-9,20H2,1H3,(H2,21,23);2-3,8-9H,4-7,23H2,1H3,(H2,22,25);2-3,8-9H,4-7,20H2,1H3,(H2,19,22);2*2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t;2*12-,17-;;;2*11-,16+/m.10..10/s1.
What are the key properties of (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine?
(3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine has a molecular weight of 2901.00 g/mol, XLogP of 22.53, 25 rotatable bonds, 19 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4S)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-3-ol;5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide;(3S,4R)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[4-fluoro-2-(trifluoromethyl)phenyl]sulfanylpyrazin-2-amine is sourced from PubChem (CID 157192511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).