(1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C63H67N15O5S3 — CID 167708878

About (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 167708878) has the molecular formula C63H67N15O5S3 and a molecular weight of 1210.53 g/mol. Its IUPAC name is (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 167708878
• Molecular Formula: C63H67N15O5S3
• Molecular Weight: 1210.53 g/mol
• Exact Mass: 1209.46
• IUPAC Name: (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: COc1ncc(CN)cc1Sc1cnc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c2n1.COc1ncc(CN2C(=O)c3ccccc3C2=O)cc1Sc1cnc2[nH]c(N3CCC4(CC3)Cc3ccccc3[C@H]4N[S@](=O)C(C)(C)C)cc2n1
• InChI: InChI=1S/C38H39N7O4S2.C25H28N8OS/c1-37(2,3)51(48)43-32-25-10-6-5-9-24(25)19-38(32)13-15-44(16-14-38)30-18-28-33(42-30)39-21-31(41-28)50-29-17-23(20-40-34(29)49-4)22-45-35(46)26-11-7-8-12-27(26)36(45)47;1-34-23-18(10-15(12-26)13-29-23)35-19-14-28-21-22(30-19)32-24(31-21)33-8-6-25(7-9-33)11-16-4-2-3-5-17(16)20(25)27/h5-12,17-18,20-21,32,43H,13-16,19,22H2,1-4H3,(H,39,42);2-5,10,13-14,20H,6-9,11-12,26-27H2,1H3,(H,28,30,31,32)/t32-,51-;20-/m11/s1
• InChIKey: ZNEDHYZLRDWRKA-NHTRQXLHSA-N
• XLogP: 9.45
• TPSA: 265.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.53
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 167708878) is (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is COc1ncc(CN)cc1Sc1cnc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c2n1.COc1ncc(CN2C(=O)c3ccccc3C2=O)cc1Sc1cnc2[nH]c(N3CCC4(CC3)Cc3ccccc3[C@H]4N[S@](=O)C(C)(C)C)cc2n1.

What is the InChIKey of (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is ZNEDHYZLRDWRKA-NHTRQXLHSA-N. The full InChI is InChI=1S/C38H39N7O4S2.C25H28N8OS/c1-37(2,3)51(48)43-32-25-10-6-5-9-24(25)19-38(32)13-15-44(16-14-38)30-18-28-33(42-30)39-21-31(41-28)50-29-17-23(20-40-34(29)49-4)22-45-35(46)26-11-7-8-12-27(26)36(45)47;1-34-23-18(10-15(12-26)13-29-23)35-19-14-28-21-22(30-19)32-24(31-21)33-8-6-25(7-9-33)11-16-4-2-3-5-17(16)20(25)27/h5-12,17-18,20-21,32,43H,13-16,19,22H2,1-4H3,(H,39,42);2-5,10,13-14,20H,6-9,11-12,26-27H2,1H3,(H,28,30,31,32)/t32-,51-;20-/m11/s1.

What are the key properties of (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1210.53 g/mol, XLogP of 9.45, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[5-[[5-(aminomethyl)-2-methoxy-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(R)-N-[(1S)-1'-[2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-3-pyridinyl]sulfanyl]-5H-pyrrolo[2,3-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167708878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).