[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

C126H147F21N42OS8 — CID 159298160

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;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
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)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.NCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S.C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C16H19F3N6OS.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;20-19(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;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;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1-2,5,8-9,11H,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;1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)/t;;2*11-;;;/m..10.../s1
InChIKeyLAZKWLQHYVQLJV-OZJDQSPESA-N
MW2921.35 g/mol
LogP23.32
Rot. Bonds29

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;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

[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 (PubChem CID 159298160) has the molecular formula C126H147F21N42OS8 and a molecular weight of 2921.35 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;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.

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;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
PubChem CID159298160
Molecular FormulaC126H147F21N42OS8
Molecular Weight2921.35 g/mol
Exact Mass2919.02
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;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
SMILESCC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)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.NCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S.C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C16H19F3N6OS.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;20-19(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;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;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1-2,5,8-9,11H,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;1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)/t;;2*11-;;;/m..10.../s1
InChIKeyLAZKWLQHYVQLJV-OZJDQSPESA-N
XLogP23.32
TPSA677.88 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds29
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002921.35
LogP ≤ 523.32
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

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;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 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
5-Amino-3-(4-ethyl-4-methylpiperidin-1-yl)-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;[1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-4-yl]methanol;5-(4-ethyl-4-methylpiperidin-1-yl)-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyridin-3-amine;6-(4-methyl-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-4-propan-2-ylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)
CID 157727788
[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
(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
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 161213468
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

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;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?
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;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) 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;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.
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;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?
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;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 is CC1(CN)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)c2)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.NCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(CO)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC(N)(c3ccccc3)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;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?
The InChIKey is LAZKWLQHYVQLJV-OZJDQSPESA-N. The full InChI is InChI=1S/C21H21F3N6S.C19H20F3N7S2.2C18H23F3N6S.C18H22F3N5S.C16H19F3N6OS.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;20-19(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;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;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1-2,5,8-9,11H,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;1-2,5,8,26H,3-4,6-7,9,21H2,(H2,20,24);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)/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;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?
[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 has a molecular weight of 2921.35 g/mol, XLogP of 23.32, 29 rotatable bonds, 15 hydrogen bond donors, and 51 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;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 is sourced from PubChem (CID 159298160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).