(4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C86H102Cl8N26O2 — CID 160832423

About (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 160832423) has the molecular formula C86H102Cl8N26O2 and a molecular weight of 1815.57 g/mol. Its IUPAC name is (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 160832423
• Molecular Formula: C86H102Cl8N26O2
• Molecular Weight: 1815.57 g/mol
• Exact Mass: 1810.62
• IUPAC Name: (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: CN[C@@H]1CCCC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1CCCC12CCN(c1nc(C)c(-c3cnc(N)c(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1COCC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1C[C@H](O)CC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2
• InChI: InChI=1S/C22H26Cl2N6O.C22H26Cl2N6.C21H26Cl2N8.C21H24Cl2N6O/c1-13-18(15-4-3-5-16(23)19(15)24)20-28-26-12-30(20)21(27-13)29-8-6-22(7-9-29)11-14(31)10-17(22)25-2;1-14-18(15-5-3-6-16(23)19(15)24)20-28-26-13-30(20)21(27-14)29-11-9-22(10-12-29)8-4-7-17(22)25-2;1-12-15(13-10-26-18(24)17(23)16(13)22)19-29-27-11-31(19)20(28-12)30-8-6-21(7-9-30)5-3-4-14(21)25-2;1-13-17(14-4-3-5-15(22)18(14)23)19-27-25-12-29(19)20(26-13)28-8-6-21(7-9-28)11-30-10-16(21)24-2/h3-5,12,14,17,25,31H,6-11H2,1-2H3;3,5-6,13,17,25H,4,7-12H2,1-2H3;10-11,14,25H,3-9H2,1-2H3,(H2,24,26);3-5,12,16,24H,6-11H2,1-2H3/t14-,17+;17-;14-;16-/m0111/s1
• InChIKey: SGYVRZHORMDYIS-DOWUOAOASA-N
• XLogP: 15.85
• TPSA: 301.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1815.57
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 160832423) is (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CN[C@@H]1CCCC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1CCCC12CCN(c1nc(C)c(-c3cnc(N)c(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1COCC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2.CN[C@@H]1C[C@H](O)CC12CCN(c1nc(C)c(-c3cccc(Cl)c3Cl)c3nncn13)CC2.

What is the InChIKey of (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is SGYVRZHORMDYIS-DOWUOAOASA-N. The full InChI is InChI=1S/C22H26Cl2N6O.C22H26Cl2N6.C21H26Cl2N8.C21H24Cl2N6O/c1-13-18(15-4-3-5-16(23)19(15)24)20-28-26-12-30(20)21(27-13)29-8-6-22(7-9-29)11-14(31)10-17(22)25-2;1-14-18(15-5-3-6-16(23)19(15)24)20-28-26-13-30(20)21(27-14)29-11-9-22(10-12-29)8-4-7-17(22)25-2;1-12-15(13-10-26-18(24)17(23)16(13)22)19-29-27-11-31(19)20(28-12)30-8-6-21(7-9-30)5-3-4-14(21)25-2;1-13-17(14-4-3-5-15(22)18(14)23)19-27-25-12-29(19)20(26-13)28-8-6-21(7-9-28)11-30-10-16(21)24-2/h3-5,12,14,17,25,31H,6-11H2,1-2H3;3,5-6,13,17,25H,4,7-12H2,1-2H3;10-11,14,25H,3-9H2,1-2H3,(H2,24,26);3-5,12,16,24H,6-11H2,1-2H3/t14-,17+;17-;14-;16-/m0111/s1.

What are the key properties of (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 1815.57 g/mol, XLogP of 15.85, 12 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[8-(6-amino-4,5-dichloro-3-pyridinyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-(methylamino)-8-azaspiro[4.5]decan-2-ol;(4R)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-N-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 160832423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).