(4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C104H121Cl4F7N34O3S4 — CID 163659932

About (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 163659932) has the molecular formula C104H121Cl4F7N34O3S4 and a molecular weight of 2298.41 g/mol. Its IUPAC name is (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 163659932
• Molecular Formula: C104H121Cl4F7N34O3S4
• Molecular Weight: 2298.41 g/mol
• Exact Mass: 2294.79
• IUPAC Name: (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
• SMILES: C[C@@H]1OCC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Cc1nccc(Sc2c(N)nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccnc(F)c1Cl
• InChI: InChI=1S/C21H24Cl2N6O.C21H26ClN7OS.C21H24F3N7OS.C21H24F3N7S.C20H23ClFN7S/c1-12-17(24)21(11-30-12)5-8-28(9-6-21)20-27-18(25)15(19-26-7-10-29(19)20)13-3-2-4-14(22)16(13)23;1-12-15(22)14(3-6-25-12)31-16-18(24)27-20(29-10-7-26-19(16)29)28-8-4-21(5-9-28)11-30-13(2)17(21)23;1-12-15(25)20(11-32-12)4-8-30(9-5-20)19-29-17(26)14(18-28-7-10-31(18)19)33-13-3-2-6-27-16(13)21(22,23)24;22-21(23,24)16-13(3-2-8-27-16)32-15-17(26)29-19(31-12-9-28-18(15)31)30-10-6-20(7-11-30)5-1-4-14(20)25;21-14-12(3-7-25-16(14)22)30-15-17(24)27-19(29-11-8-26-18(15)29)28-9-5-20(6-10-28)4-1-2-13(20)23/h2-4,7,10,12,17H,5-6,8-9,11,24-25H2,1H3;3,6-7,10,13,17H,4-5,8-9,11,23-24H2,1-2H3;2-3,6-7,10,12,15H,4-5,8-9,11,25-26H2,1H3;2-3,8-9,12,14H,1,4-7,10-11,25-26H2;3,7-8,11,13H,1-2,4-6,9-10,23-24H2/t12-,17+;13-,17+;12-,15+;14-;13-/m00011/s1
• InChIKey: ITNKQAVEGDPMKP-NWQBYKPUSA-N
• XLogP: 17.70
• TPSA: 506.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2298.41
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 163659932) is (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc(N)c(Sc4cccnc4C(F)(F)F)c4nccn34)CC2)[C@@H]1N.Cc1nccc(Sc2c(N)nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1cccnc1C(F)(F)F.Nc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccnc(F)c1Cl.

What is the InChIKey of (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

The InChIKey is ITNKQAVEGDPMKP-NWQBYKPUSA-N. The full InChI is InChI=1S/C21H24Cl2N6O.C21H26ClN7OS.C21H24F3N7OS.C21H24F3N7S.C20H23ClFN7S/c1-12-17(24)21(11-30-12)5-8-28(9-6-21)20-27-18(25)15(19-26-7-10-29(19)20)13-3-2-4-14(22)16(13)23;1-12-15(22)14(3-6-25-12)31-16-18(24)27-20(29-10-7-26-19(16)29)28-8-4-21(5-9-28)11-30-13(2)17(21)23;1-12-15(25)20(11-32-12)4-8-30(9-5-20)19-29-17(26)14(18-28-7-10-31(18)19)33-13-3-2-6-27-16(13)21(22,23)24;22-21(23,24)16-13(3-2-8-27-16)32-15-17(26)29-19(31-12-9-28-18(15)31)30-10-6-20(7-11-30)5-1-4-14(20)25;21-14-12(3-7-25-16(14)22)30-15-17(24)27-19(29-11-8-26-18(15)29)28-9-5-20(6-10-28)4-1-2-13(20)23/h2-4,7,10,12,17H,5-6,8-9,11,24-25H2,1H3;3,6-7,10,13,17H,4-5,8-9,11,23-24H2,1-2H3;2-3,6-7,10,12,15H,4-5,8-9,11,25-26H2,1H3;2-3,8-9,12,14H,1,4-7,10-11,25-26H2;3,7-8,11,13H,1-2,4-6,9-10,23-24H2/t12-,17+;13-,17+;12-,15+;14-;13-/m00011/s1.

What are the key properties of (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?

(4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 2298.41 g/mol, XLogP of 17.70, 14 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[7-amino-8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[7-amino-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 163659932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).