(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

C49H60Cl4N16OS4 — CID 159875882

IUPAC(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.Nc1nc(Cl)cnc1Sc1cccnc1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccnc1Cl
InChIInChI=1S/C22H31ClN6OS2.C18H23ClN6S.C9H6Cl2N4S/c1-21(2,3)32(30)28-16-7-4-8-22(16)9-12-29(13-10-22)17-14-26-20(19(24)27-17)31-15-6-5-11-25-18(15)23;19-15-12(3-2-8-22-15)26-17-16(21)24-14(11-23-17)25-9-6-18(7-10-25)5-1-4-13(18)20;10-6-4-14-9(8(12)15-6)16-5-2-1-3-13-7(5)11/h5-6,11,14,16,28H,4,7-10,12-13H2,1-3H3,(H2,24,27);2-3,8,11,13H,1,4-7,9-10,20H2,(H2,21,24);1-4H,(H2,12,15)/t16-,32-;13-;/m11./s1
InChIKeyNSXAHNSNQRBERG-PRBAKPGSSA-N
MW1159.21 g/mol
LogP10.72
Rot. Bonds10

About (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

(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 (PubChem CID 159875882) has the molecular formula C49H60Cl4N16OS4 and a molecular weight of 1159.21 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159875882
Molecular FormulaC49H60Cl4N16OS4
Molecular Weight1159.21 g/mol
Exact Mass1156.28
IUPAC Name(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
SMILESCC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.Nc1nc(Cl)cnc1Sc1cccnc1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccnc1Cl
InChIInChI=1S/C22H31ClN6OS2.C18H23ClN6S.C9H6Cl2N4S/c1-21(2,3)32(30)28-16-7-4-8-22(16)9-12-29(13-10-22)17-14-26-20(19(24)27-17)31-15-6-5-11-25-18(15)23;19-15-12(3-2-8-22-15)26-17-16(21)24-14(11-23-17)25-9-6-18(7-10-25)5-1-4-13(18)20;10-6-4-14-9(8(12)15-6)16-5-2-1-3-13-7(5)11/h5-6,11,14,16,28H,4,7-10,12-13H2,1-3H3,(H2,24,27);2-3,8,11,13H,1,4-7,9-10,20H2,(H2,21,24);1-4H,(H2,12,15)/t16-,32-;13-;/m11./s1
InChIKeyNSXAHNSNQRBERG-PRBAKPGSSA-N
XLogP10.72
TPSA255.67 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001159.21
LogP ≤ 510.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (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 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

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118238414
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
US10336774, Example 79
CID 118238344
US10336774, Example 51
CID 118247760
(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
(2S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-N-[(3S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-3-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 135294457
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-(1-aminoethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 157730674
(3S,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-amine;(3R,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
CID 157814242
(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(R)-N-[(3S)-7-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-yl]-2-methylpropane-2-sulfinamide;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158726765
(4R)-8-[6-amino-5-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine;6-(2-methyl-3-oxa-1,8-diazaspiro[4.5]dec-1-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 159012693

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[S@@](=O)N[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.Nc1nc(Cl)cnc1Sc1cccnc1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1cccnc1Cl.
What is the InChIKey of (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?
The InChIKey is NSXAHNSNQRBERG-PRBAKPGSSA-N. The full InChI is InChI=1S/C22H31ClN6OS2.C18H23ClN6S.C9H6Cl2N4S/c1-21(2,3)32(30)28-16-7-4-8-22(16)9-12-29(13-10-22)17-14-26-20(19(24)27-17)31-15-6-5-11-25-18(15)23;19-15-12(3-2-8-22-15)26-17-16(21)24-14(11-23-17)25-9-6-18(7-10-25)5-1-4-13(18)20;10-6-4-14-9(8(12)15-6)16-5-2-1-3-13-7(5)11/h5-6,11,14,16,28H,4,7-10,12-13H2,1-3H3,(H2,24,27);2-3,8,11,13H,1,4-7,9-10,20H2,(H2,21,24);1-4H,(H2,12,15)/t16-,32-;13-;/m11./s1.
What are the key properties of (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?
(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 has a molecular weight of 1159.21 g/mol, XLogP of 10.72, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159875882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).