[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C106H128F18N36OS7 — CID 158618487

IUPAC[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)CC1.CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C17H21F3N6S.C16H19F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13;2*1-11(22)17(2)5-8-27(9-6-17)13-10-25-16(15(23)26-13)28-12-4-3-7-24-14(12)18(19,20)21;1-17(11-22)4-7-26(8-5-17)12-9-13(23)16(25-10-12)27-14-3-2-6-24-15(14)18(19,20)21;1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20;17-16(18,19)12-10(2-1-5-22-12)27-14-13(20)24-11(8-23-14)25-6-3-15(21,9-26)4-7-25/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28);2*3-4,7,10-11H,5-6,8-9,22H2,1-2H3,(H2,23,26);2-3,6,9-10H,4-5,7-8,11,22-23H2,1H3;2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25);1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24)/t;2*11-;;;/m.10.../s1
InChIKeyHXRPPYFVXILNRM-GPJCXWOWSA-N
MW2488.87 g/mol
LogP19.63
Rot. Bonds25

About [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 158618487) has the molecular formula C106H128F18N36OS7 and a molecular weight of 2488.87 g/mol. Its IUPAC name is [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID158618487
Molecular FormulaC106H128F18N36OS7
Molecular Weight2488.87 g/mol
Exact Mass2486.88
IUPAC Name[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)CC1.CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C17H21F3N6S.C16H19F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13;2*1-11(22)17(2)5-8-27(9-6-17)13-10-25-16(15(23)26-13)28-12-4-3-7-24-14(12)18(19,20)21;1-17(11-22)4-7-26(8-5-17)12-9-13(23)16(25-10-12)27-14-3-2-6-24-15(14)18(19,20)21;1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20;17-16(18,19)12-10(2-1-5-22-12)27-14-13(20)24-11(8-23-14)25-6-3-15(21,9-26)4-7-25/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28);2*3-4,7,10-11H,5-6,8-9,22H2,1-2H3,(H2,23,26);2-3,6,9-10H,4-5,7-8,11,22-23H2,1H3;2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25);1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24)/t;2*11-;;;/m.10.../s1
InChIKeyHXRPPYFVXILNRM-GPJCXWOWSA-N
XLogP19.63
TPSA583.93 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.87
LogP ≤ 519.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4R)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 157634775
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
(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine
CID 158251204
(2R,4S)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2S,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol;(2R,4R)-4-amino-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol
CID 158263356
[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 159298160
(3S,4S)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4R)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 160665552
5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 160755826
5-amino-3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine
CID 160937637
5-amino-3-[4-(aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;(3S,4S)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;(3R,4R)-4-(aminomethyl)-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine;6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 161512549
(4R)-8-[6-amino-5-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol
CID 162141137
[1-[3,4-Diamino-6-[1-[[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methylamino]ethenyl]-2-pyridinyl]piperidin-4-yl]methanol
CID 89054457

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 158618487) is [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)CC1.CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.C[C@H](N)C1(C)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is HXRPPYFVXILNRM-GPJCXWOWSA-N. The full InChI is InChI=1S/C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C17H21F3N6S.C16H19F3N6OS/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13;2*1-11(22)17(2)5-8-27(9-6-17)13-10-25-16(15(23)26-13)28-12-4-3-7-24-14(12)18(19,20)21;1-17(11-22)4-7-26(8-5-17)12-9-13(23)16(25-10-12)27-14-3-2-6-24-15(14)18(19,20)21;1-16(10-21)4-7-26(8-5-16)12-9-24-15(14(22)25-12)27-11-3-2-6-23-13(11)17(18,19)20;17-16(18,19)12-10(2-1-5-22-12)27-14-13(20)24-11(8-23-14)25-6-3-15(21,9-26)4-7-25/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28);2*3-4,7,10-11H,5-6,8-9,22H2,1-2H3,(H2,23,26);2-3,6,9-10H,4-5,7-8,11,22-23H2,1H3;2-3,6,9H,4-5,7-8,10,21H2,1H3,(H2,22,25);1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24)/t;2*11-;;;/m.10.../s1.
What are the key properties of [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
[4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2488.87 g/mol, XLogP of 19.63, 25 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol;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-(aminomethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 158618487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).