5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C119H141F18N31O3S6 — CID 159400748

IUPAC5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)nc1C(N)=O)CC2.C[C@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C21H25F3N6OS.3C20H24F3N5S.2C19H22F3N5OS/c1-12-4-2-6-20(12)7-10-30(11-8-20)18-14(17(26)31)28-19(16(25)29-18)32-13-5-3-9-27-15(13)21(22,23)24;3*1-13-4-2-6-19(13)7-10-28(11-8-19)15-12-26-18(17(24)27-15)29-14-5-3-9-25-16(14)20(21,22)23;2*1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H2,25,29)(H2,26,31);3*3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,24,27);2*2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-;2*13-;;2*12-/m010.10/s1
InChIKeyLNHQFJVMHLBWKA-XEONRWMXSA-N
MW2588.02 g/mol
LogP27.26
Rot. Bonds19

About 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 159400748) has the molecular formula C119H141F18N31O3S6 and a molecular weight of 2588.02 g/mol. Its IUPAC name is 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID159400748
Molecular FormulaC119H141F18N31O3S6
Molecular Weight2588.02 g/mol
Exact Mass2585.99
IUPAC Name5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESCC1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)nc1C(N)=O)CC2.C[C@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2
InChIInChI=1S/C21H25F3N6OS.3C20H24F3N5S.2C19H22F3N5OS/c1-12-4-2-6-20(12)7-10-30(11-8-20)18-14(17(26)31)28-19(16(25)29-18)32-13-5-3-9-27-15(13)21(22,23)24;3*1-13-4-2-6-19(13)7-10-28(11-8-19)15-12-26-18(17(24)27-15)29-14-5-3-9-25-16(14)20(21,22)23;2*1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H2,25,29)(H2,26,31);3*3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,24,27);2*2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-;2*13-;;2*12-/m010.10/s1
InChIKeyLNHQFJVMHLBWKA-XEONRWMXSA-N
XLogP27.26
TPSA469.13 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds19
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002588.02
LogP ≤ 527.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;bis(6-(4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine)
CID 157241444
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
3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-[(2R,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4S)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2R,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(2,4-dimethyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158923581
(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(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 159355290
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;(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-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 160218262
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
3-(2,3-dichlorophenyl)sulfanyl-6-(4-methyl-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 164015269
3-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;6-(1-methyl-2,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 164095112

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 159400748) is 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is CC1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.C[C@H]1CCCC12CCN(c1nc(N)c(Sc3cccnc3C(F)(F)F)nc1C(N)=O)CC2.C[C@H]1CCOC12CCN(c1cnc(Sc3cccnc3C(F)(F)F)c(N)n1)CC2.
What is the InChIKey of 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is LNHQFJVMHLBWKA-XEONRWMXSA-N. The full InChI is InChI=1S/C21H25F3N6OS.3C20H24F3N5S.2C19H22F3N5OS/c1-12-4-2-6-20(12)7-10-30(11-8-20)18-14(17(26)31)28-19(16(25)29-18)32-13-5-3-9-27-15(13)21(22,23)24;3*1-13-4-2-6-19(13)7-10-28(11-8-19)15-12-26-18(17(24)27-15)29-14-5-3-9-25-16(14)20(21,22)23;2*1-12-4-10-28-18(12)5-8-27(9-6-18)14-11-25-17(16(23)26-14)29-13-3-2-7-24-15(13)19(20,21)22/h3,5,9,12H,2,4,6-8,10-11H2,1H3,(H2,25,29)(H2,26,31);3*3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,24,27);2*2-3,7,11-12H,4-6,8-10H2,1H3,(H2,23,26)/t12-;2*13-;;2*12-/m010.10/s1.
What are the key properties of 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 2588.02 g/mol, XLogP of 27.26, 19 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;6-[(4S)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-methyl-8-azaspiro[4.5]decan-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4S)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[(4R)-4-methyl-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 159400748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).