(3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine

C119H149Cl6F3N42O5S7 — CID 158350807

About (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine

(3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine (PubChem CID 158350807) has the molecular formula C119H149Cl6F3N42O5S7 and a molecular weight of 2741.97 g/mol. Its IUPAC name is (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine
• PubChem CID: 158350807
• Molecular Formula: C119H149Cl6F3N42O5S7
• Molecular Weight: 2741.97 g/mol
• Exact Mass: 2736.88
• IUPAC Name: (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine
• SMILES: CC1(CN)CCN(c2cnc(Sc3ccncc3C(F)(F)F)cn2)CC1.CCCC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.COC(=O)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.C[C@@]1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@@H]1O.C[C@@]1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@H]1O.NCC1(CO)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.NCC1(c2ccccn2)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1
• InChI: InChI=1S/C20H22ClN7S.C17H21ClN6O2S.C17H23ClN6S.C17H20F3N5S.3C16H21ClN6OS/c21-18-14(4-8-25-19(18)23)29-17-12-26-16(11-27-17)28-9-5-20(13-22,6-10-28)15-3-1-2-7-24-15;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;1-16(11-21)3-6-25(7-4-16)14-9-24-15(10-23-14)26-13-2-5-22-8-12(13)17(18,19)20;2*1-16(9-18)3-5-23(8-11(16)24)12-6-22-13(7-21-12)25-10-2-4-20-15(19)14(10)17;17-14-11(1-4-20-15(14)19)25-13-8-21-12(7-22-13)23-5-2-16(9-18,10-24)3-6-23/h1-4,7-8,11-12H,5-6,9-10,13,22H2,(H2,23,25);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);2,5,8-10H,3-4,6-7,11,21H2,1H3;2*2,4,6-7,11,24H,3,5,8-9,18H2,1H3,(H2,19,20);1,4,7-8,24H,2-3,5-6,9-10,18H2,(H2,19,20)/t;;;;11-,16+;11-,16-;/m....10./s1
• InChIKey: GSHGTMSUPFZCLO-AJPWWGSCSA-N
• XLogP: 17.47
• TPSA: 731.51 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 54
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.97
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

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

The IUPAC name of (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine (CID 158350807) is (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine.

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

The canonical SMILES for (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc(Sc3ccncc3C(F)(F)F)cn2)CC1.CCCC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.COC(=O)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.C[C@@]1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@@H]1O.C[C@@]1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)C[C@H]1O.NCC1(CO)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.NCC1(c2ccccn2)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.

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

The InChIKey is GSHGTMSUPFZCLO-AJPWWGSCSA-N. The full InChI is InChI=1S/C20H22ClN7S.C17H21ClN6O2S.C17H23ClN6S.C17H20F3N5S.3C16H21ClN6OS/c21-18-14(4-8-25-19(18)23)29-17-12-26-16(11-27-17)28-9-5-20(13-22,6-10-28)15-3-1-2-7-24-15;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;1-16(11-21)3-6-25(7-4-16)14-9-24-15(10-23-14)26-13-2-5-22-8-12(13)17(18,19)20;2*1-16(9-18)3-5-23(8-11(16)24)12-6-22-13(7-21-12)25-10-2-4-20-15(19)14(10)17;17-14-11(1-4-20-15(14)19)25-13-8-21-12(7-22-13)23-5-2-16(9-18,10-24)3-6-23/h1-4,7-8,11-12H,5-6,9-10,13,22H2,(H2,23,25);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);2,5,8-10H,3-4,6-7,11,21H2,1H3;2*2,4,6-7,11,24H,3,5,8-9,18H2,1H3,(H2,19,20);1,4,7-8,24H,2-3,5-6,9-10,18H2,(H2,19,20)/t;;;;11-,16+;11-,16-;/m....10./s1.

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

(3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine has a molecular weight of 2741.97 g/mol, XLogP of 17.47, 32 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]methanol;4-[5-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methyl 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)piperidine-4-carboxylate;[4-methyl-1-[5-[[3-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 158350807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).