(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

C115H120Cl3N43OS6 — CID 159203930

IUPAC(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESC.COc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1nc2c(s1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1ncccc1Sc1cnc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)n2cnnc12.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc4[nH]ncc34)c3nccn13)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C25H24N8S.C24H25ClN8OS.C23H24N8S.C21H21ClN10S.C21H22ClN9S2.CH4/c26-22-16-3-2-8-27-19(16)13-25(22)6-10-32(11-7-25)24-29-15-21(23-28-9-12-33(23)24)34-20-5-1-4-18-17(20)14-30-31-18;1-34-16-4-2-3-14-15(16)11-24(20(14)26)6-9-32(10-7-24)23-29-12-18(22-31-30-13-33(22)23)35-17-5-8-28-21(27)19(17)25;1-15-17(5-3-8-25-15)32-18-13-27-22(31-14-28-29-21(18)31)30-10-6-23(7-11-30)12-16-4-2-9-26-19(16)20(23)24;22-15-13(1-4-27-18(15)24)33-14-10-28-20(32-11-29-30-19(14)32)31-7-2-21(3-8-31)9-12-16(17(21)23)26-6-5-25-12;1-11-28-16-13(32-11)8-21(17(16)23)3-6-30(7-4-21)20-26-9-14(19-29-27-10-31(19)20)33-12-2-5-25-18(24)15(12)22;/h1-5,8-9,12,14-15,22H,6-7,10-11,13,26H2,(H,30,31);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);2-5,8-9,13-14,20H,6-7,10-12,24H2,1H3;1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27);2,5,9-10,17H,3-4,6-8,23H2,1H3,(H2,24,25);1H4/t22-;2*20-;2*17-;/m11111./s1
InChIKeyKPQDVOUMNLQZNO-QHFNYXPMSA-N
MW2419.29 g/mol
LogP17.66
Rot. Bonds16

About (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (PubChem CID 159203930) has the molecular formula C115H120Cl3N43OS6 and a molecular weight of 2419.29 g/mol. Its IUPAC name is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.

Molecular Properties

Compound Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
PubChem CID159203930
Molecular FormulaC115H120Cl3N43OS6
Molecular Weight2419.29 g/mol
Exact Mass2415.81
IUPAC Name(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESC.COc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1nc2c(s1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1ncccc1Sc1cnc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)n2cnnc12.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc4[nH]ncc34)c3nccn13)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C25H24N8S.C24H25ClN8OS.C23H24N8S.C21H21ClN10S.C21H22ClN9S2.CH4/c26-22-16-3-2-8-27-19(16)13-25(22)6-10-32(11-7-25)24-29-15-21(23-28-9-12-33(23)24)34-20-5-1-4-18-17(20)14-30-31-18;1-34-16-4-2-3-14-15(16)11-24(20(14)26)6-9-32(10-7-24)23-29-12-18(22-31-30-13-33(22)23)35-17-5-8-28-21(27)19(17)25;1-15-17(5-3-8-25-15)32-18-13-27-22(31-14-28-29-21(18)31)30-10-6-23(7-11-30)12-16-4-2-9-26-19(16)20(23)24;22-15-13(1-4-27-18(15)24)33-14-10-28-20(32-11-29-30-19(14)32)31-7-2-21(3-8-31)9-12-16(17(21)23)26-6-5-25-12;1-11-28-16-13(32-11)8-21(17(16)23)3-6-30(7-4-21)20-26-9-14(19-29-27-10-31(19)20)33-12-2-5-25-18(24)15(12)22;/h1-5,8-9,12,14-15,22H,6-7,10-11,13,26H2,(H,30,31);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);2-5,8-9,13-14,20H,6-7,10-12,24H2,1H3;1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27);2,5,9-10,17H,3-4,6-8,23H2,1H3,(H2,24,25);1H4/t22-;2*20-;2*17-;/m11111./s1
InChIKeyKPQDVOUMNLQZNO-QHFNYXPMSA-N
XLogP17.66
TPSA580.79 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002419.29
LogP ≤ 517.66
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Analyze (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The IUPAC name of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (CID 159203930) is (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.
What is the SMILES notation for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The canonical SMILES for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is C.COc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1nc2c(s1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Cc1ncccc1Sc1cnc(N2CCC3(CC2)Cc2cccnc2[C@H]3N)n2cnnc12.N[C@@H]1c2cccnc2CC12CCN(c1ncc(Sc3cccc4[nH]ncc34)c3nccn13)CC2.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)c1Cl.
What is the InChIKey of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The InChIKey is KPQDVOUMNLQZNO-QHFNYXPMSA-N. The full InChI is InChI=1S/C25H24N8S.C24H25ClN8OS.C23H24N8S.C21H21ClN10S.C21H22ClN9S2.CH4/c26-22-16-3-2-8-27-19(16)13-25(22)6-10-32(11-7-25)24-29-15-21(23-28-9-12-33(23)24)34-20-5-1-4-18-17(20)14-30-31-18;1-34-16-4-2-3-14-15(16)11-24(20(14)26)6-9-32(10-7-24)23-29-12-18(22-31-30-13-33(22)23)35-17-5-8-28-21(27)19(17)25;1-15-17(5-3-8-25-15)32-18-13-27-22(31-14-28-29-21(18)31)30-10-6-23(7-11-30)12-16-4-2-9-26-19(16)20(23)24;22-15-13(1-4-27-18(15)24)33-14-10-28-20(32-11-29-30-19(14)32)31-7-2-21(3-8-31)9-12-16(17(21)23)26-6-5-25-12;1-11-28-16-13(32-11)8-21(17(16)23)3-6-30(7-4-21)20-26-9-14(19-29-27-10-31(19)20)33-12-2-5-25-18(24)15(12)22;/h1-5,8-9,12,14-15,22H,6-7,10-11,13,26H2,(H,30,31);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);2-5,8-9,13-14,20H,6-7,10-12,24H2,1H3;1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27);2,5,9-10,17H,3-4,6-8,23H2,1H3,(H2,24,25);1H4/t22-;2*20-;2*17-;/m11111./s1.
What are the key properties of (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine has a molecular weight of 2419.29 g/mol, XLogP of 17.66, 16 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-(1H-indazol-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;methane;(7S)-1'-[8-[(2-methyl-3-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is sourced from PubChem (CID 159203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).