[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane

C110H134FN19O9S5 — CID 158811901

About [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane

[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane (PubChem CID 158811901) has the molecular formula C110H134FN19O9S5 and a molecular weight of 2045.74 g/mol. Its IUPAC name is [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane.

Molecular Properties

• Compound Name: [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane
• PubChem CID: 158811901
• Molecular Formula: C110H134FN19O9S5
• Molecular Weight: 2045.74 g/mol
• Exact Mass: 2043.92
• IUPAC Name: [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane
• SMILES: C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cc(F)nc3c2C=CC3)n1.C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cc(OCC)nc3c2C=CC3)n1.C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cccc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2ccnc3c2C=CC3)c1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(-c2ccnc3c2C=CC3)c1
• InChI: InChI=1S/C23H30N4O2S.C22H26N4O3S.C22H26N4O2S.C22H27N3OS.C21H25FN4OS/c1-6-29-23-14-19(18-8-7-9-20(18)25-23)21-12-17(27-10-11-28-15-16(27)2)13-22(24-21)26-30(3,4)5;1-15-12-28-9-8-26(15)16-10-21(19-6-7-23-20-5-3-4-18(19)20)24-22(11-16)25-30(2,27)17-13-29-14-17;1-15-14-28-11-10-26(15)16-12-21(19-8-9-23-20-5-3-4-18(19)20)24-22(13-16)25-29(2,27)17-6-7-17;1-16-15-26-12-11-25(16)18-13-21(23-22(14-18)24-27(2,3)4)20-10-6-8-17-7-5-9-19(17)20;1-14-13-27-9-8-26(14)15-10-19(24-21(11-15)25-28(2,3)4)17-12-20(22)23-18-7-5-6-16(17)18/h7-8,12-14,16H,3,6,9-11,15H2,1-2,4-5H3;3-4,6-7,10-11,15,17H,5,8-9,12-14H2,1-2H3;3-4,8-9,12-13,15,17H,5-7,10-11,14H2,1-2H3;5-6,8-10,13-14,16H,2,7,11-12,15H2,1,3-4H3;5-6,10-12,14H,2,7-9,13H2,1,3-4H3/t16-;15-,30?;15-,29?;16-;14-/m11111/s1
• InChIKey: IUUJKEWDGKNEOV-UNHOLNAXSA-N
• XLogP: 18.83
• TPSA: 292.76 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.74
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane?

The IUPAC name of [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane (CID 158811901) is [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane.

What is the SMILES notation for [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane?

The canonical SMILES for [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane is C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cc(F)nc3c2C=CC3)n1.C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cc(OCC)nc3c2C=CC3)n1.C=S(C)(C)=Nc1cc(N2CCOC[C@H]2C)cc(-c2cccc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2ccnc3c2C=CC3)c1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(-c2ccnc3c2C=CC3)c1.

What is the InChIKey of [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane?

The InChIKey is IUUJKEWDGKNEOV-UNHOLNAXSA-N. The full InChI is InChI=1S/C23H30N4O2S.C22H26N4O3S.C22H26N4O2S.C22H27N3OS.C21H25FN4OS/c1-6-29-23-14-19(18-8-7-9-20(18)25-23)21-12-17(27-10-11-28-15-16(27)2)13-22(24-21)26-30(3,4)5;1-15-12-28-9-8-26(15)16-10-21(19-6-7-23-20-5-3-4-18(19)20)24-22(11-16)25-30(2,27)17-13-29-14-17;1-15-14-28-11-10-26(15)16-12-21(19-8-9-23-20-5-3-4-18(19)20)24-22(13-16)25-29(2,27)17-6-7-17;1-16-15-26-12-11-25(16)18-13-21(23-22(14-18)24-27(2,3)4)20-10-6-8-17-7-5-9-19(17)20;1-14-13-27-9-8-26(14)15-10-19(24-21(11-15)25-28(2,3)4)17-12-20(22)23-18-7-5-6-16(17)18/h7-8,12-14,16H,3,6,9-11,15H2,1-2,4-5H3;3-4,6-7,10-11,15,17H,5,8-9,12-14H2,1-2H3;3-4,8-9,12-13,15,17H,5-7,10-11,14H2,1-2H3;5-6,8-10,13-14,16H,2,7,11-12,15H2,1,3-4H3;5-6,10-12,14H,2,7-9,13H2,1,3-4H3/t16-;15-,30?;15-,29?;16-;14-/m11111/s1.

What are the key properties of [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane?

[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane has a molecular weight of 2045.74 g/mol, XLogP of 18.83, 19 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[6-(7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(2-fluoro-7H-cyclopenta[b]pyridin-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[6-(1H-inden-4-yl)-4-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane is sourced from PubChem (CID 158811901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).