2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide

C101H123Cl2N21O16S5 — CID 158881822

About 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide

2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide (PubChem CID 158881822) has the molecular formula C101H123Cl2N21O16S5 and a molecular weight of 2118.47 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
• PubChem CID: 158881822
• Molecular Formula: C101H123Cl2N21O16S5
• Molecular Weight: 2118.47 g/mol
• Exact Mass: 2115.74
• IUPAC Name: 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide
• SMILES: CC1=Cc2c(-c3nc(C4CCCS4(=O)=O)cc(N4CCOC[C@H]4C)n3)cc(Cl)nc2C1.COc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)cc(C)n1.Cc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)cc(Cl)n1.Cc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1nc2ccccc2n1-c1nc(C2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1
• InChI: InChI=1S/C22H25ClN4O3S.C21H25N5O3S.C20H26N4O4S.C19H23ClN4O3S.C19H24N4O3S/c1-13-8-15-16(10-20(23)24-17(15)9-13)22-25-18(19-4-3-7-31(19,28)29)11-21(26-22)27-5-6-30-12-14(27)2;1-14-13-29-10-9-25(14)20-12-17(19-8-5-11-30(19,27)28)23-21(24-20)26-15(2)22-16-6-3-4-7-18(16)26;1-13-9-15(10-19(21-13)27-3)20-22-16(17-5-4-8-29(17,25)26)11-18(23-20)24-6-7-28-12-14(24)2;1-12-8-14(9-17(20)21-12)19-22-15(16-4-3-7-28(16,25)26)10-18(23-19)24-5-6-27-11-13(24)2;1-13-10-15(5-6-20-13)19-21-16(17-4-3-9-27(17,24)25)11-18(22-19)23-7-8-26-12-14(23)2/h8,10-11,14,19H,3-7,9,12H2,1-2H3;3-4,6-7,12,14,19H,5,8-11,13H2,1-2H3;9-11,14,17H,4-8,12H2,1-3H3;8-10,13,16H,3-7,11H2,1-2H3;5-6,10-11,14,17H,3-4,7-9,12H2,1-2H3/t2*14-,19?;14-,17?;13-,16?;14-,17?/m11111/s1
• InChIKey: JDCUVEFIOCLHLX-IUZOLATKSA-N
• XLogP: 13.85
• TPSA: 440.56 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2118.47
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?

The IUPAC name of 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide (CID 158881822) is 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide.

What is the SMILES notation for 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?

The canonical SMILES for 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide is CC1=Cc2c(-c3nc(C4CCCS4(=O)=O)cc(N4CCOC[C@H]4C)n3)cc(Cl)nc2C1.COc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)cc(C)n1.Cc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)cc(Cl)n1.Cc1cc(-c2nc(C3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)ccn1.Cc1nc2ccccc2n1-c1nc(C2CCCS2(=O)=O)cc(N2CCOC[C@H]2C)n1.

What is the InChIKey of 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?

The InChIKey is JDCUVEFIOCLHLX-IUZOLATKSA-N. The full InChI is InChI=1S/C22H25ClN4O3S.C21H25N5O3S.C20H26N4O4S.C19H23ClN4O3S.C19H24N4O3S/c1-13-8-15-16(10-20(23)24-17(15)9-13)22-25-18(19-4-3-7-31(19,28)29)11-21(26-22)27-5-6-30-12-14(27)2;1-14-13-29-10-9-25(14)20-12-17(19-8-5-11-30(19,27)28)23-21(24-20)26-15(2)22-16-6-3-4-7-18(16)26;1-13-9-15(10-19(21-13)27-3)20-22-16(17-5-4-8-29(17,25)26)11-18(23-20)24-6-7-28-12-14(24)2;1-12-8-14(9-17(20)21-12)19-22-15(16-4-3-7-28(16,25)26)10-18(23-19)24-5-6-27-11-13(24)2;1-13-10-15(5-6-20-13)19-21-16(17-4-3-9-27(17,24)25)11-18(22-19)23-7-8-26-12-14(23)2/h8,10-11,14,19H,3-7,9,12H2,1-2H3;3-4,6-7,12,14,19H,5,8-11,13H2,1-2H3;9-11,14,17H,4-8,12H2,1-3H3;8-10,13,16H,3-7,11H2,1-2H3;5-6,10-11,14,17H,3-4,7-9,12H2,1-2H3/t2*14-,19?;14-,17?;13-,16?;14-,17?/m11111/s1.

What are the key properties of 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide?

2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide has a molecular weight of 2118.47 g/mol, XLogP of 13.85, 16 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chloro-6-methyl-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-chloro-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methoxy-6-methyl-4-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-4-pyridinyl)pyrimidin-4-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 158881822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).