6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane

C113H133F25N36S7 — CID 160529372

IUPAC6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1([C@@H](N)CF)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC3(CC2)CCC(F)(F)[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC(F)C3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.S
InChIInChI=1S/C19H21F5N6S.4C19H22F4N6S.C18H22F4N6S.H2S/c20-18(21)4-3-17(16(18)26)5-8-30(9-6-17)12-10-28-15(14(25)29-12)31-11-2-1-7-27-13(11)19(22,23)24;4*20-11-3-4-18(14(11)24)5-8-29(9-6-18)13-10-27-17(16(25)28-13)30-12-2-1-7-26-15(12)19(21,22)23;1-17(12(23)9-19)4-7-28(8-5-17)13-10-26-16(15(24)27-13)29-11-3-2-6-25-14(11)18(20,21)22;/h1-2,7,10,16H,3-6,8-9,26H2,(H2,25,29);4*1-2,7,10-11,14H,3-6,8-9,24H2,(H2,25,28);2-3,6,10,12H,4-5,7-9,23H2,1H3,(H2,24,27);1H2/t16-;11-,14+;2*11-,14-;;12-;/m0010.0./s1
InChIKeyQVIGTGPAEZIAOE-IUHWCMKLSA-N
MW2694.98 g/mol
LogP22.29
Rot. Bonds20

About 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane

6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane (PubChem CID 160529372) has the molecular formula C113H133F25N36S7 and a molecular weight of 2694.98 g/mol. Its IUPAC name is 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane.

Molecular Properties

Compound Name6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane
PubChem CID160529372
Molecular FormulaC113H133F25N36S7
Molecular Weight2694.98 g/mol
Exact Mass2692.92
IUPAC Name6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane
SMILESCC1([C@@H](N)CF)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC3(CC2)CCC(F)(F)[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC(F)C3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.S
InChIInChI=1S/C19H21F5N6S.4C19H22F4N6S.C18H22F4N6S.H2S/c20-18(21)4-3-17(16(18)26)5-8-30(9-6-17)12-10-28-15(14(25)29-12)31-11-2-1-7-27-13(11)19(22,23)24;4*20-11-3-4-18(14(11)24)5-8-29(9-6-18)13-10-27-17(16(25)28-13)30-12-2-1-7-26-15(12)19(21,22)23;1-17(12(23)9-19)4-7-28(8-5-17)13-10-26-16(15(24)27-13)29-11-3-2-6-25-14(11)18(20,21)22;/h1-2,7,10,16H,3-6,8-9,26H2,(H2,25,29);4*1-2,7,10-11,14H,3-6,8-9,24H2,(H2,25,28);2-3,6,10,12H,4-5,7-9,23H2,1H3,(H2,24,27);1H2/t16-;11-,14+;2*11-,14-;;12-;/m0010.0./s1
InChIKeyQVIGTGPAEZIAOE-IUHWCMKLSA-N
XLogP22.29
TPSA563.70 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002694.98
LogP ≤ 522.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane 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

(4S)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(4R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118248000
US10336774, Example 47
CID 118247722
US10336774, Example 85
CID 118247851
US10336774, Example 61
CID 118247934
US10336774, Example 62
CID 118247936
US10336774, Example 86a
CID 124195858
US10336774, Example 86b
CID 124195860
8-[6-Amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine
CID 118238306
8-[6-Amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
CID 118238328
N-[8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118238359
N-[8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118238443

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane?
The IUPAC name of 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane (CID 160529372) is 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane.
What is the SMILES notation for 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane?
The canonical SMILES for 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane is CC1([C@@H](N)CF)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.Nc1nc(N2CCC3(CC2)CCC(F)(F)[C@H]3N)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC(F)C3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CC[C@H](F)[C@H]3N)CC2)cnc1Sc1cccnc1C(F)(F)F.S.
What is the InChIKey of 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane?
The InChIKey is QVIGTGPAEZIAOE-IUHWCMKLSA-N. The full InChI is InChI=1S/C19H21F5N6S.4C19H22F4N6S.C18H22F4N6S.H2S/c20-18(21)4-3-17(16(18)26)5-8-30(9-6-17)12-10-28-15(14(25)29-12)31-11-2-1-7-27-13(11)19(22,23)24;4*20-11-3-4-18(14(11)24)5-8-29(9-6-18)13-10-27-17(16(25)28-13)30-12-2-1-7-26-15(12)19(21,22)23;1-17(12(23)9-19)4-7-28(8-5-17)13-10-26-16(15(24)27-13)29-11-3-2-6-25-14(11)18(20,21)22;/h1-2,7,10,16H,3-6,8-9,26H2,(H2,25,29);4*1-2,7,10-11,14H,3-6,8-9,24H2,(H2,25,28);2-3,6,10,12H,4-5,7-9,23H2,1H3,(H2,24,27);1H2/t16-;11-,14+;2*11-,14-;;12-;/m0010.0./s1.
What are the key properties of 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane?
6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane has a molecular weight of 2694.98 g/mol, XLogP of 22.29, 20 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-amino-2-fluoroethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-amine;(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;sulfane is sourced from PubChem (CID 160529372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).