(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;(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;(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;(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

C114H113Cl5N44O2S5 — CID 159290498

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;(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;(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;(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
SMILESCOc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.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)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C24H22ClN9S.C24H25ClN8OS.C23H23ClN8OS.C22H22ClN9S.C21H21ClN10S/c25-19-17(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;1-34-16-4-2-3-14-15(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;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;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;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/h1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28);1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27)/t2*20-;19-;18-;17-/m11111/s1
InChIKeyLABBAFGSJWKZSJ-DJSPWPIZSA-N
MW2469.06 g/mol
LogP16.51
Rot. Bonds16

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;(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;(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;(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

(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;(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;(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;(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 (PubChem CID 159290498) has the molecular formula C114H113Cl5N44O2S5 and a molecular weight of 2469.06 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;(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;(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;(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.

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;(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;(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;(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
PubChem CID159290498
Molecular FormulaC114H113Cl5N44O2S5
Molecular Weight2469.06 g/mol
Exact Mass2464.71
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;(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;(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;(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
SMILESCOc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.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)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C24H22ClN9S.C24H25ClN8OS.C23H23ClN8OS.C22H22ClN9S.C21H21ClN10S/c25-19-17(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;1-34-16-4-2-3-14-15(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;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;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;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/h1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28);1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27)/t2*20-;19-;18-;17-/m11111/s1
InChIKeyLABBAFGSJWKZSJ-DJSPWPIZSA-N
XLogP16.51
TPSA648.17 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.06
LogP ≤ 516.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

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;(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;(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;(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 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;(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;(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;(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?
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;(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;(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;(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 (CID 159290498) 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;(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;(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;(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.
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;(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;(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;(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?
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;(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;(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;(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 is COc1cccc2c1CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nncn34)CC1)[C@@H]2N.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)Cc3nccnc3[C@H]4N)n3ccnc23)c1Cl.Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3[C@H]4N)n3cnnc23)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;(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;(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;(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?
The InChIKey is LABBAFGSJWKZSJ-DJSPWPIZSA-N. The full InChI is InChI=1S/C24H22ClN9S.C24H25ClN8OS.C23H23ClN8OS.C22H22ClN9S.C21H21ClN10S/c25-19-17(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;1-34-16-4-2-3-14-15(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;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;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;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/h1-4,7,12-13,20H,5-6,8-10,27H2,(H2,28,29);2-5,8,12-13,20H,6-7,9-11,26H2,1H3,(H2,27,28);1-4,7,11-12,19,33H,5-6,8-10,25H2,(H2,26,27);1,4-7,10,12,18H,2-3,8-9,11,24H2,(H2,25,28);1,4-6,10-11,17H,2-3,7-9,23H2,(H2,24,27)/t2*20-;19-;18-;17-/m11111/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;(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;(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;(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?
(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;(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;(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;(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 has a molecular weight of 2469.06 g/mol, XLogP of 16.51, 16 rotatable bonds, 11 hydrogen bond donors, and 51 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;(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;(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;(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 is sourced from PubChem (CID 159290498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).