(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C147H174Cl8FN45OS7 — CID 159294829

IUPAC(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.COc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(C4CC4)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)cn1
InChIInChI=1S/C23H27ClN6S.C22H28ClN7S.C21H25ClN6OS.C21H25ClN6S.C20H23Cl2N7S.C20H22ClFN6S.C20H24ClN7S/c24-19-16(5-9-26-20(19)15-3-4-15)31-17-14-28-22(30-13-10-27-21(17)30)29-11-7-23(8-12-29)6-1-2-18(23)25;1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24;1-29-19-17(22)14(4-8-25-19)30-15-13-26-20(28-12-9-24-18(15)28)27-10-6-21(7-11-27)5-2-3-16(21)23;1-14-18(22)15(4-8-24-14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-6-21(7-11-27)5-2-3-17(21)23;21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23;21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23;21-13-11-25-17(23)10-14(13)29-15-12-26-19(28-9-6-24-18(15)28)27-7-4-20(5-8-27)3-1-2-16(20)22/h5,9-10,13-15,18H,1-4,6-8,11-12,25H2;5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3;4,8-9,12-13,16H,2-3,5-7,10-11,23H2,1H3;4,8-9,12-13,17H,2-3,5-7,10-11,23H2,1H3;6,9-11,14H,1-5,7-8,23H2,(H2,24,27);3,7-8,11-12,15H,1-2,4-6,9-10,23H2;6,9-12,16H,1-5,7-8,22H2,(H2,23,25)/t18-;17-;16-;17-;14-;15-;16-/m1111111/s1
InChIKeyLAOSKAYXDFRGSQ-SSBMVJCPSA-N
MW3114.41 g/mol
LogP29.40
Rot. Bonds24

About (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 159294829) has the molecular formula C147H174Cl8FN45OS7 and a molecular weight of 3114.41 g/mol. Its IUPAC name is (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID159294829
Molecular FormulaC147H174Cl8FN45OS7
Molecular Weight3114.41 g/mol
Exact Mass3108.05
IUPAC Name(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.COc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(C4CC4)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)cn1
InChIInChI=1S/C23H27ClN6S.C22H28ClN7S.C21H25ClN6OS.C21H25ClN6S.C20H23Cl2N7S.C20H22ClFN6S.C20H24ClN7S/c24-19-16(5-9-26-20(19)15-3-4-15)31-17-14-28-22(30-13-10-27-21(17)30)29-11-7-23(8-12-29)6-1-2-18(23)25;1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24;1-29-19-17(22)14(4-8-25-19)30-15-13-26-20(28-12-9-24-18(15)28)27-10-6-21(7-11-27)5-2-3-16(21)23;1-14-18(22)15(4-8-24-14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-6-21(7-11-27)5-2-3-17(21)23;21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23;21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23;21-13-11-25-17(23)10-14(13)29-15-12-26-19(28-9-6-24-18(15)28)27-7-4-20(5-8-27)3-1-2-16(20)22/h5,9-10,13-15,18H,1-4,6-8,11-12,25H2;5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3;4,8-9,12-13,16H,2-3,5-7,10-11,23H2,1H3;4,8-9,12-13,17H,2-3,5-7,10-11,23H2,1H3;6,9-11,14H,1-5,7-8,23H2,(H2,24,27);3,7-8,11-12,15H,1-2,4-6,9-10,23H2;6,9-12,16H,1-5,7-8,22H2,(H2,23,25)/t18-;17-;16-;17-;14-;15-;16-/m1111111/s1
InChIKeyLAOSKAYXDFRGSQ-SSBMVJCPSA-N
XLogP29.40
TPSA570.89 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds24
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003114.41
LogP ≤ 529.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 159294829) is (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is CN(C)c1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.COc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.Cc1nccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c1Cl.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(C4CC4)c3Cl)c3nccn13)CC2.N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc(F)c3Cl)c3nccn13)CC2.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)c(Cl)n1.Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(Cl)cn1.
What is the InChIKey of (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is LAOSKAYXDFRGSQ-SSBMVJCPSA-N. The full InChI is InChI=1S/C23H27ClN6S.C22H28ClN7S.C21H25ClN6OS.C21H25ClN6S.C20H23Cl2N7S.C20H22ClFN6S.C20H24ClN7S/c24-19-16(5-9-26-20(19)15-3-4-15)31-17-14-28-22(30-13-10-27-21(17)30)29-11-7-23(8-12-29)6-1-2-18(23)25;1-28(2)20-18(23)15(5-9-25-20)31-16-14-27-21(30-13-10-26-19(16)30)29-11-7-22(8-12-29)6-3-4-17(22)24;1-29-19-17(22)14(4-8-25-19)30-15-13-26-20(28-12-9-24-18(15)28)27-10-6-21(7-11-27)5-2-3-16(21)23;1-14-18(22)15(4-8-24-14)29-16-13-26-20(28-12-9-25-19(16)28)27-10-6-21(7-11-27)5-2-3-17(21)23;21-16-12(10-15(24)27-17(16)22)30-13-11-26-19(29-9-6-25-18(13)29)28-7-4-20(5-8-28)3-1-2-14(20)23;21-16-13(3-7-24-17(16)22)29-14-12-26-19(28-11-8-25-18(14)28)27-9-5-20(6-10-27)4-1-2-15(20)23;21-13-11-25-17(23)10-14(13)29-15-12-26-19(28-9-6-24-18(15)28)27-7-4-20(5-8-27)3-1-2-16(20)22/h5,9-10,13-15,18H,1-4,6-8,11-12,25H2;5,9-10,13-14,17H,3-4,6-8,11-12,24H2,1-2H3;4,8-9,12-13,16H,2-3,5-7,10-11,23H2,1H3;4,8-9,12-13,17H,2-3,5-7,10-11,23H2,1H3;6,9-11,14H,1-5,7-8,23H2,(H2,24,27);3,7-8,11-12,15H,1-2,4-6,9-10,23H2;6,9-12,16H,1-5,7-8,22H2,(H2,23,25)/t18-;17-;16-;17-;14-;15-;16-/m1111111/s1.
What are the key properties of (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 3114.41 g/mol, XLogP of 29.40, 24 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-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]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-fluoro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine;(4R)-8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 159294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).