(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine

C163H163Cl7N58OS7 — CID 159848541

IUPAC(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)C2.N#Cc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3c(O)cccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C25H26ClN7S.C24H22ClN9S.C24H25ClN8S.C23H23ClN8OS.C23H23ClN8S.2C22H22ClN9S/c1-15-2-3-16-13-25(21(27)17(16)12-15)5-9-32(10-6-25)24-31-14-19(23-30-8-11-33(23)24)34-18-4-7-29-22(28)20(18)26;25-19-17(4-7-29-21(19)28)35-18-12-30-23(34-13-31-32-22(18)34)33-8-5-24(6-9-33)10-16-14(11-26)2-1-3-15(16)20(24)27;1-14-2-3-15-11-24(20(26)16(15)10-14)5-8-32(9-6-24)23-29-12-18(22-31-30-13-33(22)23)34-17-4-7-28-21(27)19(17)25;24-18-16(4-7-27-20(18)26)34-17-11-28-22(32-12-29-30-21(17)32)31-8-5-23(6-9-31)10-14-13(19(23)25)2-1-3-15(14)33;24-18-16(2-6-28-20(18)26)33-17-13-30-22(32-10-7-29-21(17)32)31-8-3-23(4-9-31)11-14-12-27-5-1-15(14)19(23)25;23-17-15(2-6-27-19(17)25)33-16-11-28-21(32-12-29-30-20(16)32)31-7-3-22(4-8-31)9-13-10-26-5-1-14(13)18(22)24;23-16-14(1-4-28-19(16)25)33-15-12-30-21(32-10-7-29-20(15)32)31-8-2-22(3-9-31)11-13-17(18(22)24)27-6-5-26-13/h2-4,7-8,11-12,14,21H,5-6,9-10,13,27H2,1H3,(H2,28,29);1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-4,7,10,12-13,20H,5-6,8-9,11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1-2,5-7,10,12-13,19H,3-4,8-9,11,25H2,(H2,26,28);1-2,5-6,10-12,18H,3-4,7-9,24H2,(H2,25,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28)/t21-;2*20-;2*19-;2*18-/m1111111/s1
InChIKeyNPPZBIFJBFLBGG-QLEJWOQWSA-N
MW3423.14 g/mol
LogP25.83
Rot. Bonds21

About (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine

(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine (PubChem CID 159848541) has the molecular formula C163H163Cl7N58OS7 and a molecular weight of 3423.14 g/mol. Its IUPAC name is (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine
PubChem CID159848541
Molecular FormulaC163H163Cl7N58OS7
Molecular Weight3423.14 g/mol
Exact Mass3417.04
IUPAC Name(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine
SMILESCc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)C2.N#Cc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3c(O)cccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl
InChIInChI=1S/C25H26ClN7S.C24H22ClN9S.C24H25ClN8S.C23H23ClN8OS.C23H23ClN8S.2C22H22ClN9S/c1-15-2-3-16-13-25(21(27)17(16)12-15)5-9-32(10-6-25)24-31-14-19(23-30-8-11-33(23)24)34-18-4-7-29-22(28)20(18)26;25-19-17(4-7-29-21(19)28)35-18-12-30-23(34-13-31-32-22(18)34)33-8-5-24(6-9-33)10-16-14(11-26)2-1-3-15(16)20(24)27;1-14-2-3-15-11-24(20(26)16(15)10-14)5-8-32(9-6-24)23-29-12-18(22-31-30-13-33(22)23)34-17-4-7-28-21(27)19(17)25;24-18-16(4-7-27-20(18)26)34-17-11-28-22(32-12-29-30-21(17)32)31-8-5-23(6-9-31)10-14-13(19(23)25)2-1-3-15(14)33;24-18-16(2-6-28-20(18)26)33-17-13-30-22(32-10-7-29-21(17)32)31-8-3-23(4-9-31)11-14-12-27-5-1-15(14)19(23)25;23-17-15(2-6-27-19(17)25)33-16-11-28-21(32-12-29-30-20(16)32)31-7-3-22(4-8-31)9-13-10-26-5-1-14(13)18(22)24;23-16-14(1-4-28-19(16)25)33-15-12-30-21(32-10-7-29-20(15)32)31-8-2-22(3-9-31)11-13-17(18(22)24)27-6-5-26-13/h2-4,7-8,11-12,14,21H,5-6,9-10,13,27H2,1H3,(H2,28,29);1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-4,7,10,12-13,20H,5-6,8-9,11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1-2,5-7,10,12-13,19H,3-4,8-9,11,25H2,(H2,26,28);1-2,5-6,10-12,18H,3-4,7-9,24H2,(H2,25,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28)/t21-;2*20-;2*19-;2*18-/m1111111/s1
InChIKeyNPPZBIFJBFLBGG-QLEJWOQWSA-N
XLogP25.83
TPSA835.66 Ų
H-Bond Donors15
H-Bond Acceptors66
Rotatable Bonds21
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003423.14
LogP ≤ 525.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1066

Analyze (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine (CID 159848541) is (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine is Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC1)C2.Cc1ccc2c(c1)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)C2.N#Cc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3c(O)cccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cnccc3[C@H]4N)n3cnnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl.
What is the InChIKey of (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is NPPZBIFJBFLBGG-QLEJWOQWSA-N. The full InChI is InChI=1S/C25H26ClN7S.C24H22ClN9S.C24H25ClN8S.C23H23ClN8OS.C23H23ClN8S.2C22H22ClN9S/c1-15-2-3-16-13-25(21(27)17(16)12-15)5-9-32(10-6-25)24-31-14-19(23-30-8-11-33(23)24)34-18-4-7-29-22(28)20(18)26;25-19-17(4-7-29-21(19)28)35-18-12-30-23(34-13-31-32-22(18)34)33-8-5-24(6-9-33)10-16-14(11-26)2-1-3-15(16)20(24)27;1-14-2-3-15-11-24(20(26)16(15)10-14)5-8-32(9-6-24)23-29-12-18(22-31-30-13-33(22)23)34-17-4-7-28-21(27)19(17)25;24-18-16(4-7-27-20(18)26)34-17-11-28-22(32-12-29-30-21(17)32)31-8-5-23(6-9-31)10-14-13(19(23)25)2-1-3-15(14)33;24-18-16(2-6-28-20(18)26)33-17-13-30-22(32-10-7-29-21(17)32)31-8-3-23(4-9-31)11-14-12-27-5-1-15(14)19(23)25;23-17-15(2-6-27-19(17)25)33-16-11-28-21(32-12-29-30-20(16)32)31-7-3-22(4-8-31)9-13-10-26-5-1-14(13)18(22)24;23-16-14(1-4-28-19(16)25)33-15-12-30-21(32-10-7-29-20(15)32)31-8-2-22(3-9-31)11-13-17(18(22)24)27-6-5-26-13/h2-4,7-8,11-12,14,21H,5-6,9-10,13,27H2,1H3,(H2,28,29);1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-4,7,10,12-13,20H,5-6,8-9,11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1-2,5-7,10,12-13,19H,3-4,8-9,11,25H2,(H2,26,28);1-2,5-6,10-12,18H,3-4,7-9,24H2,(H2,25,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28)/t21-;2*20-;2*19-;2*18-/m1111111/s1.
What are the key properties of (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine?
(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 3423.14 g/mol, XLogP of 25.83, 21 rotatable bonds, 15 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile;(1S)-1-amino-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-ol;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-5-amine;(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine;(1S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-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[c]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 159848541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).