(4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

C₁₅₈H₁₈₂Cl₁₁N₄₅O₄S₆ — CID 157151104

About (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 157151104) has the molecular formula C₁₅₈H₁₈₂Cl₁₁N₄₅O₄S₆ and a molecular weight of 3357.89 g/mol. Its IUPAC name is (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 157151104
• Molecular Formula: C₁₅₈H₁₈₂Cl₁₁N₄₅O₄S₆
• Molecular Weight: 3357.89 g/mol
• Exact Mass: 3350.03
• IUPAC Name: (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
• SMILES: CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3nncn23)CC1.CC1(N)CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nncn13)CC2.COC(=O)CCSc1cnc(N2CCC3(CCCC3)CC2)n2ccnc12.C[C@@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nncn34)CC2)[C@@H]1N.C[C@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nncn34)CC2)[C@H]1N.N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c3nncn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3)c3nncn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3Cl)c3nncn13)CC2
• InChI: InChI=1S/C21H24Cl2N6S.2C20H22Cl2N6OS.C20H22Cl2N6.C20H23ClN6S.C20H24N6S.C19H26N4O2S.C18H19Cl2N5/c1-20(24)6-3-7-21(20)8-10-28(11-9-21)19-25-12-16(18-27-26-13-29(18)19)30-15-5-2-4-14(22)17(15)23;2*1-12-17(23)20(10-29-12)5-7-27(8-6-20)19-24-9-15(18-26-25-11-28(18)19)30-14-4-2-3-13(21)16(14)22;21-15-4-1-3-13(17(15)22)14-11-24-19(28-12-25-26-18(14)28)27-9-7-20(8-10-27)6-2-5-16(20)23;21-14-4-1-2-5-15(14)28-16-12-23-19(27-13-24-25-18(16)27)26-10-8-20(9-11-26)7-3-6-17(20)22;21-17-7-4-8-20(17)9-11-25(12-10-20)19-22-13-16(18-24-23-14-26(18)19)27-15-5-2-1-3-6-15;1-25-16(24)4-13-26-15-14-21-18(23-12-9-20-17(15)23)22-10-7-19(8-11-22)5-2-3-6-19;1-18(2)6-8-24(9-7-18)17-21-10-13(16-23-22-11-25(16)17)12-4-3-5-14(19)15(12)20/h2,4-5,12-13H,3,6-11,24H2,1H3;2*2-4,9,11-12,17H,5-8,10,23H2,1H3;1,3-4,11-12,16H,2,5-10,23H2;1-2,4-5,12-13,17H,3,6-11,22H2;1-3,5-6,13-14,17H,4,7-12,21H2;9,12,14H,2-8,10-11,13H2,1H3;3-5,10-11H,6-9H2,1-2H3/t;2*12-,17+;16-;2*17-;;/m.10111../s1
• InChIKey: ALGMKTYUZRARKT-TTXKWRAASA-N
• XLogP: 32.77
• TPSA: 558.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 55
• Rotatable Bonds: 24
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3357.89
LogP ≤ 5	32.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 157151104) is (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is CC1(C)CCN(c2ncc(-c3cccc(Cl)c3Cl)c3nncn23)CC1.CC1(N)CCCC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nncn13)CC2.COC(=O)CCSc1cnc(N2CCC3(CCCC3)CC2)n2ccnc12.C[C@@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nncn34)CC2)[C@@H]1N.C[C@H]1OCC2(CCN(c3ncc(Sc4cccc(Cl)c4Cl)c4nncn34)CC2)[C@H]1N.N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c3nncn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3)c3nncn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccccc3Cl)c3nncn13)CC2.

What is the InChIKey of (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?

The InChIKey is ALGMKTYUZRARKT-TTXKWRAASA-N. The full InChI is InChI=1S/C21H24Cl2N6S.2C20H22Cl2N6OS.C20H22Cl2N6.C20H23ClN6S.C20H24N6S.C19H26N4O2S.C18H19Cl2N5/c1-20(24)6-3-7-21(20)8-10-28(11-9-21)19-25-12-16(18-27-26-13-29(18)19)30-15-5-2-4-14(22)17(15)23;2*1-12-17(23)20(10-29-12)5-7-27(8-6-20)19-24-9-15(18-26-25-11-28(18)19)30-14-4-2-3-13(21)16(14)22;21-15-4-1-3-13(17(15)22)14-11-24-19(28-12-25-26-18(14)28)27-9-7-20(8-10-27)6-2-5-16(20)23;21-14-4-1-2-5-15(14)28-16-12-23-19(27-13-24-25-18(16)27)26-10-8-20(9-11-26)7-3-6-17(20)22;21-17-7-4-8-20(17)9-11-25(12-10-20)19-22-13-16(18-24-23-14-26(18)19)27-15-5-2-1-3-6-15;1-25-16(24)4-13-26-15-14-21-18(23-12-9-20-17(15)23)22-10-7-19(8-11-22)5-2-3-6-19;1-18(2)6-8-24(9-7-18)17-21-10-13(16-23-22-11-25(16)17)12-4-3-5-14(19)15(12)20/h2,4-5,12-13H,3,6-11,24H2,1H3;2*2-4,9,11-12,17H,5-8,10,23H2,1H3;1,3-4,11-12,16H,2,5-10,23H2;1-2,4-5,12-13,17H,3,6-11,22H2;1-3,5-6,13-14,17H,4,7-12,21H2;9,12,14H,2-8,10-11,13H2,1H3;3-5,10-11H,6-9H2,1-2H3/t;2*12-,17+;16-;2*17-;;/m.10111../s1.

What are the key properties of (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 3357.89 g/mol, XLogP of 32.77, 24 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-(2-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;8-(2,3-dichlorophenyl)-5-(4,4-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidine;8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methyl-8-azaspiro[4.5]decan-4-amine;(3R,4R)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-(2,3-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;methyl 3-[5-(8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpropanoate;(4R)-8-(8-phenylsulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 157151104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157151104 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.