(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

C68H101BrCl3N21O2S5 — CID 160672798

IUPAC(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCNCC2.CN(C)c1nccc(Sc2ncc(Br)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N[S@](=O)C(C)(C)C)CC3)nc2N)c1Cl
InChIInChI=1S/C24H36ClN7OS2.C20H28ClN7S.C13H26N2OS.C11H11BrClN5S/c1-23(2,3)35(33)30-17-7-6-9-24(17)10-13-32(14-11-24)18-15-28-22(20(26)29-18)34-16-8-12-27-21(19(16)25)31(4)5;1-27(2)18-16(21)13(5-9-24-18)29-19-17(23)26-15(12-25-19)28-10-7-20(8-11-28)6-3-4-14(20)22;1-12(2,3)17(16)15-11-5-4-6-13(11)7-9-14-10-8-13;1-18(2)10-8(13)6(3-4-15-10)19-11-9(14)17-7(12)5-16-11/h8,12,15,17,30H,6-7,9-11,13-14H2,1-5H3,(H2,26,29);5,9,12,14H,3-4,6-8,10-11,22H2,1-2H3,(H2,23,26);11,14-15H,4-10H2,1-3H3;3-5H,1-2H3,(H2,14,17)/t17-,35-;14-;11-,17-;/m111./s1
InChIKeyRNDMEZHCMIWFFP-JWKIUYJGSA-N
MW1591.30 g/mol
LogP12.98
Rot. Bonds15

About (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

(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 (PubChem CID 160672798) has the molecular formula C68H101BrCl3N21O2S5 and a molecular weight of 1591.30 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160672798
Molecular FormulaC68H101BrCl3N21O2S5
Molecular Weight1591.30 g/mol
Exact Mass1587.53
IUPAC Name(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCNCC2.CN(C)c1nccc(Sc2ncc(Br)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N[S@](=O)C(C)(C)C)CC3)nc2N)c1Cl
InChIInChI=1S/C24H36ClN7OS2.C20H28ClN7S.C13H26N2OS.C11H11BrClN5S/c1-23(2,3)35(33)30-17-7-6-9-24(17)10-13-32(14-11-24)18-15-28-22(20(26)29-18)34-16-8-12-27-21(19(16)25)31(4)5;1-27(2)18-16(21)13(5-9-24-18)29-19-17(23)26-15(12-25-19)28-10-7-20(8-11-28)6-3-4-14(20)22;1-12(2,3)17(16)15-11-5-4-6-13(11)7-9-14-10-8-13;1-18(2)10-8(13)6(3-4-15-10)19-11-9(14)17-7(12)5-16-11/h8,12,15,17,30H,6-7,9-11,13-14H2,1-5H3,(H2,26,29);5,9,12,14H,3-4,6-8,10-11,22H2,1-2H3,(H2,23,26);11,14-15H,4-10H2,1-3H3;3-5H,1-2H3,(H2,14,17)/t17-,35-;14-;11-,17-;/m111./s1
InChIKeyRNDMEZHCMIWFFP-JWKIUYJGSA-N
XLogP12.98
TPSA306.52 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.30
LogP ≤ 512.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(S)-N-[(4R)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118247984
N-[8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 123780633
N-[(4R)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 135228336
(R)-N-[(4R)-8-[6-amino-5-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 164064504
(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2S,4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 164126356
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
CID 118238209
N-[(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118238304
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
CID 118238384
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
CID 118238400
(R)-N-[(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 118247871
(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
CID 118247923
(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
CID 118247980

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCNCC2.CN(C)c1nccc(Sc2ncc(Br)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.CN(C)c1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N[S@](=O)C(C)(C)C)CC3)nc2N)c1Cl.
What is the InChIKey of (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?
The InChIKey is RNDMEZHCMIWFFP-JWKIUYJGSA-N. The full InChI is InChI=1S/C24H36ClN7OS2.C20H28ClN7S.C13H26N2OS.C11H11BrClN5S/c1-23(2,3)35(33)30-17-7-6-9-24(17)10-13-32(14-11-24)18-15-28-22(20(26)29-18)34-16-8-12-27-21(19(16)25)31(4)5;1-27(2)18-16(21)13(5-9-24-18)29-19-17(23)26-15(12-25-19)28-10-7-20(8-11-28)6-3-4-14(20)22;1-12(2,3)17(16)15-11-5-4-6-13(11)7-9-14-10-8-13;1-18(2)10-8(13)6(3-4-15-10)19-11-9(14)17-7(12)5-16-11/h8,12,15,17,30H,6-7,9-11,13-14H2,1-5H3,(H2,26,29);5,9,12,14H,3-4,6-8,10-11,22H2,1-2H3,(H2,23,26);11,14-15H,4-10H2,1-3H3;3-5H,1-2H3,(H2,14,17)/t17-,35-;14-;11-,17-;/m111./s1.
What are the key properties of (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?
(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 has a molecular weight of 1591.30 g/mol, XLogP of 12.98, 15 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160672798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).