1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine

C120H160Cl7N39S7 — CID 161197707

About 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine

1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 161197707) has the molecular formula C120H160Cl7N39S7 and a molecular weight of 2621.51 g/mol. Its IUPAC name is 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

• Compound Name: 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
• PubChem CID: 161197707
• Molecular Formula: C120H160Cl7N39S7
• Molecular Weight: 2621.51 g/mol
• Exact Mass: 2615.96
• IUPAC Name: 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
• SMILES: CC(C)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC(C)CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1
• InChI: InChI=1S/C19H27ClN6S.2C18H25ClN6S.2C17H22ClN5S.C16H20ClN5S.C15H19ClN6S/c1-13(2)9-19(12-21)4-7-26(8-5-19)15-10-25-16(11-24-15)27-14-3-6-23-18(22)17(14)20;1-12(2)18(11-20)4-7-25(8-5-18)14-9-24-15(10-23-14)26-13-3-6-22-17(21)16(13)19;1-2-4-18(12-20)5-8-25(9-6-18)14-10-24-15(11-23-14)26-13-3-7-22-17(21)16(13)19;2*1-17(11-19)5-7-23(8-6-17)14-9-22-15(10-21-14)24-13-4-2-3-12(20)16(13)18;1-16(19)5-7-22(8-6-16)13-9-21-14(10-20-13)23-12-4-2-3-11(18)15(12)17;1-15(18)3-6-22(7-4-15)11-8-21-12(9-20-11)23-10-2-5-19-14(17)13(10)16/h3,6,10-11,13H,4-5,7-9,12,21H2,1-2H3,(H2,22,23);3,6,9-10,12H,4-5,7-8,11,20H2,1-2H3,(H2,21,22);3,7,10-11H,2,4-6,8-9,12,20H2,1H3,(H2,21,22);2*2-4,9-10H,5-8,11,19-20H2,1H3;2-4,9-10H,5-8,18-19H2,1H3;2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,19)
• InChIKey: UUOJBATWRDZINX-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 618.98 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.51
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine?

The IUPAC name of 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine (CID 161197707) is 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine.

What is the SMILES notation for 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine?

The canonical SMILES for 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine is CC(C)C1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC(C)CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(CN)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(N)CCN(c2cnc(Sc3cccc(N)c3Cl)cn2)CC1.CC1(N)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1.

What is the InChIKey of 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine?

The InChIKey is UUOJBATWRDZINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN6S.2C18H25ClN6S.2C17H22ClN5S.C16H20ClN5S.C15H19ClN6S/c1-13(2)9-19(12-21)4-7-26(8-5-19)15-10-25-16(11-24-15)27-14-3-6-23-18(22)17(14)20;1-12(2)18(11-20)4-7-25(8-5-18)14-9-24-15(10-23-14)26-13-3-6-22-17(21)16(13)19;1-2-4-18(12-20)5-8-25(9-6-18)14-10-24-15(11-23-14)26-13-3-7-22-17(21)16(13)19;2*1-17(11-19)5-7-23(8-6-17)14-9-22-15(10-21-14)24-13-4-2-3-12(20)16(13)18;1-16(19)5-7-22(8-6-16)13-9-21-14(10-20-13)23-12-4-2-3-11(18)15(12)17;1-15(18)3-6-22(7-4-15)11-8-21-12(9-20-11)23-10-2-5-19-14(17)13(10)16/h3,6,10-11,13H,4-5,7-9,12,21H2,1-2H3,(H2,22,23);3,6,9-10,12H,4-5,7-8,11,20H2,1-2H3,(H2,21,22);3,7,10-11H,2,4-6,8-9,12,20H2,1H3,(H2,21,22);2*2-4,9-10H,5-8,11,19-20H2,1H3;2-4,9-10H,5-8,18-19H2,1H3;2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,19).

What are the key properties of 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine?

1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 2621.51 g/mol, XLogP of 23.53, 31 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine;bis(3-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chloroaniline);4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 161197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).