(3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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

C146H176Cl10N48O7S7 — CID 157050117

About (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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 (PubChem CID 157050117) has the molecular formula C146H176Cl10N48O7S7 and a molecular weight of 3294.34 g/mol. Its IUPAC name is (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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.

Molecular Properties

• Compound Name: (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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
• PubChem CID: 157050117
• Molecular Formula: C146H176Cl10N48O7S7
• Molecular Weight: 3294.34 g/mol
• Exact Mass: 3286.98
• IUPAC Name: (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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
• SMILES: CC1(C)COC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl.Cc1nccc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl
• InChI: InChI=1S/2C21H25Cl2N7OS.3C21H26ClN7OS.C21H25ClN6OS.C20H23Cl2N7OS/c2*1-20(2)11-31-21(18(20)25)3-6-29(7-4-21)19-27-10-13(17-26-5-8-30(17)19)32-12-9-14(24)28-16(23)15(12)22;2*1-20(2)12-30-21(18(20)24)4-8-28(9-5-21)19-27-11-14(17-26-7-10-29(17)19)31-13-3-6-25-16(23)15(13)22;1-12-17(22)14(9-16(23)27-12)31-15-10-26-20(29-8-5-25-19(15)29)28-6-3-21(4-7-28)11-30-13(2)18(21)24;1-13-17(22)15(3-6-24-13)30-16-11-26-20(28-10-7-25-19(16)28)27-8-4-21(5-9-27)12-29-14(2)18(21)23;1-11-16(24)20(10-30-11)2-5-28(6-3-20)19-26-9-13(18-25-4-7-29(18)19)31-12-8-14(23)27-17(22)15(12)21/h2*5,8-10,18H,3-4,6-7,11,25H2,1-2H3,(H2,24,28);2*3,6-7,10-11,18H,4-5,8-9,12,24H2,1-2H3,(H2,23,25);5,8-10,13,18H,3-4,6-7,11,24H2,1-2H3,(H2,23,27);3,6-7,10-11,14,18H,4-5,8-9,12,23H2,1-2H3;4,7-9,11,16H,2-3,5-6,10,24H2,1H3,(H2,23,27)/t4*18-;13-,18+;14-,18+;11-,16+/m1010000/s1
• InChIKey: AACGLXYSBWGKBP-LLLNZLHQSA-N
• XLogP: 24.46
• TPSA: 727.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 62
• Rotatable Bonds: 21
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3294.34
LogP ≤ 5	24.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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?

The IUPAC name of (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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 (CID 157050117) is (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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.

What is the SMILES notation for (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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?

The canonical SMILES for (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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 is CC1(C)COC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@@H]1N.CC1(C)COC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)[C@H]1N.C[C@@H]1OCC2(CCN(c3ncc(Sc4cc(N)nc(Cl)c4Cl)c4nccn34)CC2)[C@@H]1N.Cc1nc(N)cc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl.Cc1nccc(Sc2cnc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)n3ccnc23)c1Cl.

What is the InChIKey of (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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?

The InChIKey is AACGLXYSBWGKBP-LLLNZLHQSA-N. The full InChI is InChI=1S/2C21H25Cl2N7OS.3C21H26ClN7OS.C21H25ClN6OS.C20H23Cl2N7OS/c2*1-20(2)11-31-21(18(20)25)3-6-29(7-4-21)19-27-10-13(17-26-5-8-30(17)19)32-12-9-14(24)28-16(23)15(12)22;2*1-20(2)12-30-21(18(20)24)4-8-28(9-5-21)19-27-11-14(17-26-7-10-29(17)19)31-13-3-6-25-16(23)15(13)22;1-12-17(22)14(9-16(23)27-12)31-15-10-26-20(29-8-5-25-19(15)29)28-6-3-21(4-7-28)11-30-13(2)18(21)24;1-13-17(22)15(3-6-24-13)30-16-11-26-20(28-10-7-25-19(16)28)27-8-4-21(5-9-27)12-29-14(2)18(21)23;1-11-16(24)20(10-30-11)2-5-28(6-3-20)19-26-9-13(18-25-4-7-29(18)19)31-12-8-14(23)27-17(22)15(12)21/h2*5,8-10,18H,3-4,6-7,11,25H2,1-2H3,(H2,24,28);2*3,6-7,10-11,18H,4-5,8-9,12,24H2,1-2H3,(H2,23,25);5,8-10,13,18H,3-4,6-7,11,24H2,1-2H3,(H2,23,27);3,6-7,10-11,14,18H,4-5,8-9,12,23H2,1-2H3;4,7-9,11,16H,2-3,5-6,10,24H2,1H3,(H2,23,27)/t4*18-;13-,18+;14-,18+;11-,16+/m1010000/s1.

What are the key properties of (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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 has a molecular weight of 3294.34 g/mol, XLogP of 24.46, 21 rotatable bonds, 13 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-8-[8-[(6-amino-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;(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3,3-dimethyl-1-oxa-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]-3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[8-[(6-amino-2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-8-[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 is sourced from PubChem (CID 157050117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).