(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C142H155Cl13F2N40S7 — CID 162012416

IUPAC(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1(C)CCCC12CCN(c1ncc(Sc3cc(N)nc(Cl)c3Cl)c3nccn13)CC2.CC1(C)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CC1(F)C[C@@H](N)C2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)C1.CC1CC(C)CN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)C1.CC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(C)(F)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C24H23Cl2N5S.C22H26Cl2N6S.C22H27ClFN7S.C21H24Cl2FN7S.2C18H19Cl2N5S.C17H17Cl2N5S/c1-2-24(17-7-4-3-5-8-17)11-13-30(14-12-24)23-27-15-20(22-29-28-16-31(22)23)32-19-10-6-9-18(25)21(19)26;1-21(2)4-3-5-22(21)6-9-29(10-7-22)20-27-13-15(19-26-8-11-30(19)20)31-14-12-16(25)28-18(24)17(14)23;1-13-18(23)14(9-17(26)29-13)32-15-11-28-20(31-8-5-27-19(15)31)30-6-3-22(4-7-30)12-21(2,24)10-16(22)25;1-20(24)9-14(25)21(11-20)2-5-30(6-3-21)19-28-10-13(18-27-4-7-31(18)19)32-12-8-15(26)29-17(23)16(12)22;1-11-6-12(2)9-24(8-11)18-21-7-15(17-23-22-10-25(17)18)26-14-5-3-4-13(19)16(14)20;1-18(2)6-8-24(9-7-18)17-21-10-14(16-23-22-11-25(16)17)26-13-5-3-4-12(19)15(13)20;1-11-5-7-23(8-6-11)17-20-9-14(16-22-21-10-24(16)17)25-13-4-2-3-12(18)15(13)19/h3-10,15-16H,2,11-14H2,1H3;8,11-13H,3-7,9-10H2,1-2H3,(H2,25,28);5,8-9,11,16H,3-4,6-7,10,12,25H2,1-2H3,(H2,26,29);4,7-8,10,14H,2-3,5-6,9,11,25H2,1H3,(H2,26,29);3-5,7,10-12H,6,8-9H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2-4,9-11H,5-8H2,1H3/t;;16-,21?;14-,20?;;;/m..11.../s1
InChIKeyYTQOHUQOOFEWNF-KWRXKAPYSA-N
MW3145.44 g/mol
LogP36.44
Rot. Bonds23

About (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 162012416) has the molecular formula C142H155Cl13F2N40S7 and a molecular weight of 3145.44 g/mol. Its IUPAC name is (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID162012416
Molecular FormulaC142H155Cl13F2N40S7
Molecular Weight3145.44 g/mol
Exact Mass3136.73
IUPAC Name(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC1(C)CCCC12CCN(c1ncc(Sc3cc(N)nc(Cl)c3Cl)c3nccn13)CC2.CC1(C)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CC1(F)C[C@@H](N)C2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)C1.CC1CC(C)CN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)C1.CC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(C)(F)C[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C24H23Cl2N5S.C22H26Cl2N6S.C22H27ClFN7S.C21H24Cl2FN7S.2C18H19Cl2N5S.C17H17Cl2N5S/c1-2-24(17-7-4-3-5-8-17)11-13-30(14-12-24)23-27-15-20(22-29-28-16-31(22)23)32-19-10-6-9-18(25)21(19)26;1-21(2)4-3-5-22(21)6-9-29(10-7-22)20-27-13-15(19-26-8-11-30(19)20)31-14-12-16(25)28-18(24)17(14)23;1-13-18(23)14(9-17(26)29-13)32-15-11-28-20(31-8-5-27-19(15)31)30-6-3-22(4-7-30)12-21(2,24)10-16(22)25;1-20(24)9-14(25)21(11-20)2-5-30(6-3-21)19-28-10-13(18-27-4-7-31(18)19)32-12-8-15(26)29-17(23)16(12)22;1-11-6-12(2)9-24(8-11)18-21-7-15(17-23-22-10-25(17)18)26-14-5-3-4-13(19)16(14)20;1-18(2)6-8-24(9-7-18)17-21-10-14(16-23-22-11-25(16)17)26-13-5-3-4-12(19)15(13)20;1-11-5-7-23(8-6-11)17-20-9-14(16-22-21-10-24(16)17)25-13-4-2-3-12(18)15(13)19/h3-10,15-16H,2,11-14H2,1H3;8,11-13H,3-7,9-10H2,1-2H3,(H2,25,28);5,8-9,11,16H,3-4,6-7,10,12,25H2,1-2H3,(H2,26,29);4,7-8,10,14H,2-3,5-6,9,11,25H2,1H3,(H2,26,29);3-5,7,10-12H,6,8-9H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2-4,9-11H,5-8H2,1H3/t;;16-,21?;14-,20?;;;/m..11.../s1
InChIKeyYTQOHUQOOFEWNF-KWRXKAPYSA-N
XLogP36.44
TPSA454.34 Ų
H-Bond Donors5
H-Bond Acceptors47
Rotatable Bonds23
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003145.44
LogP ≤ 536.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 162012416) is (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is CC1(C)CCCC12CCN(c1ncc(Sc3cc(N)nc(Cl)c3Cl)c3nccn13)CC2.CC1(C)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CC1(F)C[C@@H](N)C2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)C1.CC1CC(C)CN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)C1.CC1CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.CCC1(c2ccccc2)CCN(c2ncc(Sc3cccc(Cl)c3Cl)c3nncn23)CC1.Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CC(C)(F)C[C@H]4N)n3ccnc23)c1Cl.
What is the InChIKey of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is YTQOHUQOOFEWNF-KWRXKAPYSA-N. The full InChI is InChI=1S/C24H23Cl2N5S.C22H26Cl2N6S.C22H27ClFN7S.C21H24Cl2FN7S.2C18H19Cl2N5S.C17H17Cl2N5S/c1-2-24(17-7-4-3-5-8-17)11-13-30(14-12-24)23-27-15-20(22-29-28-16-31(22)23)32-19-10-6-9-18(25)21(19)26;1-21(2)4-3-5-22(21)6-9-29(10-7-22)20-27-13-15(19-26-8-11-30(19)20)31-14-12-16(25)28-18(24)17(14)23;1-13-18(23)14(9-17(26)29-13)32-15-11-28-20(31-8-5-27-19(15)31)30-6-3-22(4-7-30)12-21(2,24)10-16(22)25;1-20(24)9-14(25)21(11-20)2-5-30(6-3-21)19-28-10-13(18-27-4-7-31(18)19)32-12-8-15(26)29-17(23)16(12)22;1-11-6-12(2)9-24(8-11)18-21-7-15(17-23-22-10-25(17)18)26-14-5-3-4-13(19)16(14)20;1-18(2)6-8-24(9-7-18)17-21-10-14(16-23-22-11-25(16)17)26-13-5-3-4-12(19)15(13)20;1-11-5-7-23(8-6-11)17-20-9-14(16-22-21-10-24(16)17)25-13-4-2-3-12(18)15(13)19/h3-10,15-16H,2,11-14H2,1H3;8,11-13H,3-7,9-10H2,1-2H3,(H2,25,28);5,8-9,11,16H,3-4,6-7,10,12,25H2,1-2H3,(H2,26,29);4,7-8,10,14H,2-3,5-6,9,11,25H2,1H3,(H2,26,29);3-5,7,10-12H,6,8-9H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2-4,9-11H,5-8H2,1H3/t;;16-,21?;14-,20?;;;/m..11.../s1.
What are the key properties of (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
(4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 3145.44 g/mol, XLogP of 36.44, 23 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(6-amino-3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-fluoro-2-methyl-8-azaspiro[4.5]decan-4-amine;5,6-dichloro-4-[5-(4,4-dimethyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine;8-(2,3-dichlorophenyl)sulfanyl-5-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-ethyl-4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,3-dichlorophenyl)sulfanyl-5-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 162012416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).