(3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate

C107H131Cl5F3N31O3S6 — CID 159272675

About (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate

(3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate (PubChem CID 159272675) has the molecular formula C107H131Cl5F3N31O3S6 and a molecular weight of 2326.10 g/mol. Its IUPAC name is (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate.

Molecular Properties

• Compound Name: (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate
• PubChem CID: 159272675
• Molecular Formula: C107H131Cl5F3N31O3S6
• Molecular Weight: 2326.10 g/mol
• Exact Mass: 2321.78
• IUPAC Name: (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate
• SMILES: CC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CCC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)cn2)CC1.CCC1(c2ccccn2)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCCC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC[C@]1(C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@@H]1O.COC(=O)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1
• InChI: InChI=1S/C21H23ClN6S.C18H21F3N4S.C17H21ClN6O2S.C17H23ClN6S.C17H22ClN5OS.C17H21ClN4S/c1-2-21(16-5-3-4-9-24-16)7-11-28(12-8-21)17-13-27-18(14-26-17)29-15-6-10-25-20(23)19(15)22;1-3-17(2)6-9-25(10-7-17)14-11-24-15(12-23-14)26-13-5-4-8-22-16(13)18(19,20)21;1-26-16(25)17(10-19)3-6-24(7-4-17)12-8-23-13(9-22-12)27-11-2-5-21-15(20)14(11)18;1-2-4-17(20)5-8-24(9-6-17)13-10-23-14(11-22-13)25-12-3-7-21-16(19)15(12)18;1-3-17(2)5-7-23(10-12(17)24)13-8-22-14(9-21-13)25-11-4-6-20-16(19)15(11)18;1-17(2)6-8-22(9-7-17)14-10-21-15(11-20-14)23-13-5-3-4-12(19)16(13)18/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H2,23,25);4-5,8,11-12H,3,6-7,9-10H2,1-2H3;2,5,8-9H,3-4,6-7,10,19H2,1H3,(H2,20,21);3,7,10-11H,2,4-6,8-9,20H2,1H3,(H2,19,21);4,6,8-9,12,24H,3,5,7,10H2,1-2H3,(H2,19,20);3-5,10-11H,6-9,19H2,1-2H3/t;;;;12-,17+;/m....0./s1
• InChIKey: KXXGYCCJKSORGO-RBSMAFMCSA-N
• XLogP: 22.73
• TPSA: 480.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2326.10
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate?

The IUPAC name of (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate (CID 159272675) is (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate.

What is the SMILES notation for (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate?

The canonical SMILES for (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate is CC1(C)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CCC1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)cn2)CC1.CCC1(c2ccccn2)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCCC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC[C@]1(C)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@@H]1O.COC(=O)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.

What is the InChIKey of (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate?

The InChIKey is KXXGYCCJKSORGO-RBSMAFMCSA-N. The full InChI is InChI=1S/C21H23ClN6S.C18H21F3N4S.C17H21ClN6O2S.C17H23ClN6S.C17H22ClN5OS.C17H21ClN4S/c1-2-21(16-5-3-4-9-24-16)7-11-28(12-8-21)17-13-27-18(14-26-17)29-15-6-10-25-20(23)19(15)22;1-3-17(2)6-9-25(10-7-17)14-11-24-15(12-23-14)26-13-5-4-8-22-16(13)18(19,20)21;1-26-16(25)17(10-19)3-6-24(7-4-17)12-8-23-13(9-22-12)27-11-2-5-21-15(20)14(11)18;1-2-4-17(20)5-8-24(9-6-17)13-10-23-14(11-22-13)25-12-3-7-21-16(19)15(12)18;1-3-17(2)5-7-23(10-12(17)24)13-8-22-14(9-21-13)25-11-4-6-20-16(19)15(11)18;1-17(2)6-8-22(9-7-17)14-10-21-15(11-20-14)23-13-5-3-4-12(19)16(13)18/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H2,23,25);4-5,8,11-12H,3,6-7,9-10H2,1-2H3;2,5,8-9H,3-4,6-7,10,19H2,1H3,(H2,20,21);3,7,10-11H,2,4-6,8-9,20H2,1H3,(H2,19,21);4,6,8-9,12,24H,3,5,7,10H2,1-2H3,(H2,19,20);3-5,10-11H,6-9,19H2,1-2H3/t;;;;12-,17+;/m....0./s1.

What are the key properties of (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate?

(3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate has a molecular weight of 2326.10 g/mol, XLogP of 22.73, 26 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;2-chloro-3-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-(4-ethyl-4-methylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate is sourced from PubChem (CID 159272675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).