5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide

C88H96Cl8N24O10S6 — CID 165045273

About 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide

5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide (PubChem CID 165045273) has the molecular formula C88H96Cl8N24O10S6 and a molecular weight of 2125.92 g/mol. Its IUPAC name is 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide.

Molecular Properties

• Compound Name: 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide
• PubChem CID: 165045273
• Molecular Formula: C88H96Cl8N24O10S6
• Molecular Weight: 2125.92 g/mol
• Exact Mass: 2120.36
• IUPAC Name: 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide
• SMILES: C[C@@H]1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4nnc(CO)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(S(N)(=O)=O)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(S(N)(=O)=O)c(Sc4cccc(Cl)c4Cl)c4nnc(CO)n34)CC2)[C@@H]1N
• InChI: InChI=1S/C23H24Cl2N6O2S.C22H26Cl2N6O4S2.C22H22Cl2N6OS.C21H24Cl2N6O3S2/c1-13-21(27)23(12-33-13)5-7-30(8-6-23)18-9-14(10-26)20(22-29-28-17(11-32)31(18)22)34-16-4-2-3-15(24)19(16)25;1-12-20(25)22(11-34-12)5-7-29(8-6-22)17-9-15(36(26,32)33)19(21-28-27-16(10-31)30(17)21)35-14-4-2-3-13(23)18(14)24;1-13-20(26)22(11-31-13)5-7-29(8-6-22)17-9-14(10-25)19(21-27-12-28-30(17)21)32-16-4-2-3-15(23)18(16)24;1-12-19(24)21(10-32-12)5-7-28(8-6-21)16-9-15(34(25,30)31)18(20-26-11-27-29(16)20)33-14-4-2-3-13(22)17(14)23/h2-4,9,13,21,32H,5-8,11-12,27H2,1H3;2-4,9,12,20,31H,5-8,10-11,25H2,1H3,(H2,26,32,33);2-4,9,12-13,20H,5-8,11,26H2,1H3;2-4,9,11-12,19H,5-8,10,24H2,1H3,(H2,25,30,31)/t13-,21+;12-,20+;13-,20+;12-,19+/m0000/s1
• InChIKey: OUJWGNMYMDOUAT-QJWVCJKKSA-N
• XLogP: 14.10
• TPSA: 483.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.92
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide?

The IUPAC name of 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide (CID 165045273) is 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide.

What is the SMILES notation for 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide?

The canonical SMILES for 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide is C[C@@H]1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4nnc(CO)n34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(S(N)(=O)=O)c(Sc4cccc(Cl)c4Cl)c4ncnn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3cc(S(N)(=O)=O)c(Sc4cccc(Cl)c4Cl)c4nnc(CO)n34)CC2)[C@@H]1N.

What is the InChIKey of 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide?

The InChIKey is OUJWGNMYMDOUAT-QJWVCJKKSA-N. The full InChI is InChI=1S/C23H24Cl2N6O2S.C22H26Cl2N6O4S2.C22H22Cl2N6OS.C21H24Cl2N6O3S2/c1-13-21(27)23(12-33-13)5-7-30(8-6-23)18-9-14(10-26)20(22-29-28-17(11-32)31(18)22)34-16-4-2-3-15(24)19(16)25;1-12-20(25)22(11-34-12)5-7-29(8-6-22)17-9-15(36(26,32)33)19(21-28-27-16(10-31)30(17)21)35-14-4-2-3-13(23)18(14)24;1-13-20(26)22(11-31-13)5-7-29(8-6-22)17-9-14(10-25)19(21-27-12-28-30(17)21)32-16-4-2-3-15(23)18(16)24;1-12-19(24)21(10-32-12)5-7-28(8-6-21)16-9-15(34(25,30)31)18(20-26-11-27-29(16)20)33-14-4-2-3-13(22)17(14)23/h2-4,9,13,21,32H,5-8,11-12,27H2,1H3;2-4,9,12,20,31H,5-8,10-11,25H2,1H3,(H2,26,32,33);2-4,9,12-13,20H,5-8,11,26H2,1H3;2-4,9,11-12,19H,5-8,10,24H2,1H3,(H2,25,30,31)/t13-,21+;12-,20+;13-,20+;12-,19+/m0000/s1.

What are the key properties of 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide?

5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide has a molecular weight of 2125.92 g/mol, XLogP of 14.10, 16 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide is sourced from PubChem (CID 165045273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).