3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine

C114H149Cl9F3N45S7 — CID 160767880

IUPAC3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccnc(C(F)(F)F)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1.CCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C18H26ClN7S.C17H24ClN7S.2C16H20Cl2N6S.C16H18ClF3N6S.C16H22ClN7S.C15H19ClN6S/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19;1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18;2*1-16(9-19)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(18)12(10)17;1-15(22)3-6-26(7-4-15)10-8-24-14(13(21)25-10)27-9-2-5-23-12(11(9)17)16(18,19)20;1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25);3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24);2*2,5,8H,3-4,6-7,9,19H2,1H3,(H2,20,23);2,5,8H,3-4,6-7,22H2,1H3,(H2,21,25);2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21)
InChIKeyRYXOPTZYFPXOKJ-UHFFFAOYSA-N
MW2750.30 g/mol
LogP21.51
Rot. Bonds29

About 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 160767880) has the molecular formula C114H149Cl9F3N45S7 and a molecular weight of 2750.30 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID160767880
Molecular FormulaC114H149Cl9F3N45S7
Molecular Weight2750.30 g/mol
Exact Mass2743.82
IUPAC Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccnc(C(F)(F)F)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1.CCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C18H26ClN7S.C17H24ClN7S.2C16H20Cl2N6S.C16H18ClF3N6S.C16H22ClN7S.C15H19ClN6S/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19;1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18;2*1-16(9-19)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(18)12(10)17;1-15(22)3-6-26(7-4-15)10-8-24-14(13(21)25-10)27-9-2-5-23-12(11(9)17)16(18,19)20;1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25);3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24);2*2,5,8H,3-4,6-7,9,19H2,1H3,(H2,20,23);2,5,8H,3-4,6-7,22H2,1H3,(H2,21,25);2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21)
InChIKeyRYXOPTZYFPXOKJ-UHFFFAOYSA-N
XLogP21.51
TPSA735.71 Ų
H-Bond Donors17
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.30
LogP ≤ 521.51
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10301278, Example 37
CID 118249053
3-[[3-Chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine
CID 132120574
(4R)-8-[5-(2,3-dichloropyridin-4-yl)sulfanyl-6-(trifluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182941
8-[5-[(2,3-Dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 145442899
6-[4-[(1R)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-(1-aminoethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 157730674
4-Tert-butylsulfanyl-3-chloropyridin-2-amine;4-tert-butylsulfanyl-2,3-dichloropyridine;2-tert-butylsulfanyl-3-(trifluoromethyl)pyrazine;4-tert-butylsulfanyl-3-(trifluoromethyl)pyridin-2-amine;5-tert-butylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 158073035
(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(R)-N-[(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-yl]-2-methylpropane-2-sulfinamide;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158726765
(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 159012693
(4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)sulfanyl-6-(4,4-dimethylpiperidin-1-yl)pyrazine-2-carbonitrile;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile;[3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
CID 159526367
(4R)-8-[6-cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;2-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-3-(trifluoromethyl)pyrazine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-ethylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;[3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanamine;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane;(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyrazin-2-yl]-4-methyl-8-azaspiro[4.5]decane
CID 159756417
(3S,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3S,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethyl-4-methylpiperidin-3-ol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-ethylpiperidin-4-yl]methanol;[1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 160099100
3-[(2-Amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-diethylpiperidin-1-yl)pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;bis(3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine)
CID 160302404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine (CID 160767880) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(Cl)c3Cl)c(N)n2)CC1.CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccnc(C(F)(F)F)c3Cl)c(N)n2)CC1.CC1(N)CCN(c2cnc(Sc3ccncc3Cl)c(N)n2)CC1.CCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.CCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is RYXOPTZYFPXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7S.C17H24ClN7S.2C16H20Cl2N6S.C16H18ClF3N6S.C16H22ClN7S.C15H19ClN6S/c1-2-4-18(11-20)5-8-26(9-6-18)13-10-24-17(16(22)25-13)27-12-3-7-23-15(21)14(12)19;1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18;2*1-16(9-19)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(18)12(10)17;1-15(22)3-6-26(7-4-15)10-8-24-14(13(21)25-10)27-9-2-5-23-12(11(9)17)16(18,19)20;1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;1-15(18)3-6-22(7-4-15)12-9-20-14(13(17)21-12)23-11-2-5-19-8-10(11)16/h3,7,10H,2,4-6,8-9,11,20H2,1H3,(H2,21,23)(H2,22,25);3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24);2*2,5,8H,3-4,6-7,9,19H2,1H3,(H2,20,23);2,5,8H,3-4,6-7,22H2,1H3,(H2,21,25);2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);2,5,8-9H,3-4,6-7,18H2,1H3,(H2,17,21).
What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine?
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2750.30 g/mol, XLogP of 21.51, 29 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 160767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).