(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine

C52H66Cl4N16OS4 — CID 157099797

IUPAC(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.Nc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl
InChIInChI=1S/C23H33ClN6OS2.C19H25ClN6S.C10H8Cl2N4S/c1-22(2,3)33(31)29-17-8-5-9-23(17)10-12-30(13-11-23)18-14-27-21(20(26)28-18)32-16-7-4-6-15(25)19(16)24;20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12/h4,6-7,14,17,29H,5,8-13,25H2,1-3H3,(H2,26,28);1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25);1-4H,13H2,(H2,14,16)/t17-,33-;14-;/m11./s1
InChIKeyAFQBXETUAMRIKU-OTRJNCHXSA-N
MW1201.29 g/mol
LogP11.28
Rot. Bonds10

About (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine

(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine (PubChem CID 157099797) has the molecular formula C52H66Cl4N16OS4 and a molecular weight of 1201.29 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine.

Molecular Properties

Compound Name(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine
PubChem CID157099797
Molecular FormulaC52H66Cl4N16OS4
Molecular Weight1201.29 g/mol
Exact Mass1198.32
IUPAC Name(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.Nc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl
InChIInChI=1S/C23H33ClN6OS2.C19H25ClN6S.C10H8Cl2N4S/c1-22(2,3)33(31)29-17-8-5-9-23(17)10-12-30(13-11-23)18-14-27-21(20(26)28-18)32-16-7-4-6-15(25)19(16)24;20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12/h4,6-7,14,17,29H,5,8-13,25H2,1-3H3,(H2,26,28);1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25);1-4H,13H2,(H2,14,16)/t17-,33-;14-;/m11./s1
InChIKeyAFQBXETUAMRIKU-OTRJNCHXSA-N
XLogP11.28
TPSA295.06 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001201.29
LogP ≤ 511.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4S)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-3,3-difluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 132249971
N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118238386
(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118248005
N-[8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 124017026
(4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;6-chloro-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine
CID 157847164
4-[5-[4-(Aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;4-[5-[4-(aminomethyl)-4-(2-methylpropyl)piperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-[5-(4,4-dimethylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;2-chloro-3-[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylaniline;3-chloro-4-[5-(4-ethyl-4-propan-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine;3-chloro-4-[5-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine
CID 158411958
(3S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
CID 159115435
(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 159666669
(4R)-8-[6-amino-5-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;6-chloro-3-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-amine
CID 159875882
(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(4R)-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;6-bromo-3-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-amine
CID 160672798
3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine;3-(3-amino-2-chlorophenyl)sulfanyl-6-N-methyl-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazine-2,6-diamine;N,2,2,6,6-pentamethylpiperidin-4-amine
CID 161119621
3-(3-Amino-2-chlorophenyl)sulfanyl-6-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-(3-azido-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 161120924

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine?
The IUPAC name of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine (CID 157099797) is (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine.
What is the SMILES notation for (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine?
The canonical SMILES for (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2.Nc1cccc(Sc2ncc(Cl)nc2N)c1Cl.Nc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.
What is the InChIKey of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine?
The InChIKey is AFQBXETUAMRIKU-OTRJNCHXSA-N. The full InChI is InChI=1S/C23H33ClN6OS2.C19H25ClN6S.C10H8Cl2N4S/c1-22(2,3)33(31)29-17-8-5-9-23(17)10-12-30(13-11-23)18-14-27-21(20(26)28-18)32-16-7-4-6-15(25)19(16)24;20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22;11-7-4-15-10(9(14)16-7)17-6-3-1-2-5(13)8(6)12/h4,6-7,14,17,29H,5,8-13,25H2,1-3H3,(H2,26,28);1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25);1-4H,13H2,(H2,14,16)/t17-,33-;14-;/m11./s1.
What are the key properties of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine?
(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine has a molecular weight of 1201.29 g/mol, XLogP of 11.28, 10 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;(R)-N-[(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;3-(3-amino-2-chlorophenyl)sulfanyl-6-chloropyrazin-2-amine is sourced from PubChem (CID 157099797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).