(R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate

C141H182Cl2N24O16S6 — CID 161030368

About (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate

(R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate (PubChem CID 161030368) has the molecular formula C141H182Cl2N24O16S6 and a molecular weight of 2732.47 g/mol. Its IUPAC name is (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
• PubChem CID: 161030368
• Molecular Formula: C141H182Cl2N24O16S6
• Molecular Weight: 2732.47 g/mol
• Exact Mass: 2729.19
• IUPAC Name: (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
• SMILES: CC(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2.CC(=O)c1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCN(C(=O)OC(C)(C)C)CC1)C2.CC(=O)c1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1C2=N[S@](=O)C(C)(C)C.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1C2=O.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1[C@H]2N[S@](=O)C(C)(C)C
• InChI: InChI=1S/C28H34ClN7O2S2.C24H26ClN7OS.C24H36N2O4S.C23H33N3O3S.C23H31N3O3S.C19H22N2O3/c1-16(37)17-5-6-18-14-28(23(19(18)13-17)35-40(38)27(2,3)4)8-11-36(12-9-28)21-15-33-26(25(31)34-21)39-20-7-10-32-24(30)22(20)29;1-13(33)14-2-3-15-11-24(20(26)16(15)10-14)5-8-32(9-6-24)18-12-30-23(22(28)31-18)34-17-4-7-29-21(27)19(17)25;1-16(27)17-8-9-18-15-24(20(19(18)14-17)25-31(29)23(5,6)7)10-12-26(13-11-24)21(28)30-22(2,3)4;2*1-21(2,3)29-20(27)26-11-9-23(10-12-26)14-17-8-7-16(15-24)13-18(17)19(23)25-30(28)22(4,5)6;1-18(2,3)24-17(23)21-8-6-19(7-9-21)11-14-5-4-13(12-20)10-15(14)16(19)22/h5-7,10,13,15,23,35H,8-9,11-12,14H2,1-4H3,(H2,30,32)(H2,31,34);2-4,7,10,12,20H,5-6,8-9,11,26H2,1H3,(H2,27,29)(H2,28,31);8-9,14,20,25H,10-13,15H2,1-7H3;7-8,13,19,25H,9-12,14H2,1-6H3;7-8,13H,9-12,14H2,1-6H3;4-5,10H,6-9,11H2,1-3H3/t23-,40-;20-;20-,31-;19-,30-;30-;/m11111./s1
• InChIKey: TZNMNPDTGVHNPO-CAKKDURSSA-N
• XLogP: 25.34
• TPSA: 588.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2732.47
LogP ≤ 5	25.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate?

The IUPAC name of (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate (CID 161030368) is (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate?

The canonical SMILES for (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate is CC(=O)c1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2.CC(=O)c1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCN(C(=O)OC(C)(C)C)CC1)C2.CC(=O)c1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCN(c3cnc(Sc4ccnc(N)c4Cl)c(N)n3)CC1)C2.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1C2=N[S@](=O)C(C)(C)C.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1C2=O.CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(C#N)cc1[C@H]2N[S@](=O)C(C)(C)C.

What is the InChIKey of (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate?

The InChIKey is TZNMNPDTGVHNPO-CAKKDURSSA-N. The full InChI is InChI=1S/C28H34ClN7O2S2.C24H26ClN7OS.C24H36N2O4S.C23H33N3O3S.C23H31N3O3S.C19H22N2O3/c1-16(37)17-5-6-18-14-28(23(19(18)13-17)35-40(38)27(2,3)4)8-11-36(12-9-28)21-15-33-26(25(31)34-21)39-20-7-10-32-24(30)22(20)29;1-13(33)14-2-3-15-11-24(20(26)16(15)10-14)5-8-32(9-6-24)18-12-30-23(22(28)31-18)34-17-4-7-29-21(27)19(17)25;1-16(27)17-8-9-18-15-24(20(19(18)14-17)25-31(29)23(5,6)7)10-12-26(13-11-24)21(28)30-22(2,3)4;2*1-21(2,3)29-20(27)26-11-9-23(10-12-26)14-17-8-7-16(15-24)13-18(17)19(23)25-30(28)22(4,5)6;1-18(2,3)24-17(23)21-8-6-19(7-9-21)11-14-5-4-13(12-20)10-15(14)16(19)22/h5-7,10,13,15,23,35H,8-9,11-12,14H2,1-4H3,(H2,30,32)(H2,31,34);2-4,7,10,12,20H,5-6,8-9,11,26H2,1H3,(H2,27,29)(H2,28,31);8-9,14,20,25H,10-13,15H2,1-7H3;7-8,13,19,25H,9-12,14H2,1-6H3;7-8,13H,9-12,14H2,1-6H3;4-5,10H,6-9,11H2,1-3H3/t23-,40-;20-;20-,31-;19-,30-;30-;/m11111./s1.

What are the key properties of (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate?

(R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 2732.47 g/mol, XLogP of 25.34, 16 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1S)-6-acetyl-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide;1-[(3S)-3-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]ethanone;tert-butyl (1S)-6-acetyl-1-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl (1S)-1-[[(R)-tert-butylsulfinyl]amino]-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;tert-butyl 3-[(R)-tert-butylsulfinyl]imino-5-cyanospiro[1H-indene-2,4'-piperidine]-1'-carboxylate;tert-butyl 5-cyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 161030368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).