(2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide

C108H122F2N18O16S5 — CID 159743685

About (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide

(2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide (PubChem CID 159743685) has the molecular formula C108H122F2N18O16S5 and a molecular weight of 2126.60 g/mol. Its IUPAC name is (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide.

Molecular Properties

• Compound Name: (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
• PubChem CID: 159743685
• Molecular Formula: C108H122F2N18O16S5
• Molecular Weight: 2126.60 g/mol
• Exact Mass: 2124.79
• IUPAC Name: (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
• SMILES: COc1cc(-c2nc([C@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)c2c(n1)CC=C2.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@@H]2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@@H]2CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@H]2CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1
• InChI: InChI=1S/2C22H24FN3O3S.C22H26N4O4S.2C21H24N4O3S/c2*1-14-13-29-8-7-26(14)21-12-19(20-6-3-9-30(20,27)28)24-22(25-21)18-11-16(23)10-15-4-2-5-17(15)18;1-14-13-30-9-8-26(14)20-12-18(19-7-4-10-31(19,27)28)24-22(25-20)16-11-21(29-2)23-17-6-3-5-15(16)17;2*1-14-13-28-8-7-25(14)20-10-18(19-6-3-9-29(19,26)27)23-21(24-20)17-12-22-11-15-4-2-5-16(15)17/h2*2,5,10-12,14,20H,3-4,6-9,13H2,1H3;3,5,11-12,14,19H,4,6-10,13H2,1-2H3;2*2,5,10-12,14,19H,3-4,6-9,13H2,1H3/t14-,20?;14-,20+;14-,19-;14-,19+;14-,19-/m11111/s1
• InChIKey: NCTYCJZPXLIWBC-LBFLZRHDSA-N
• XLogP: 14.41
• TPSA: 409.85 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.60
LogP ≤ 5	14.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?

The IUPAC name of (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide (CID 159743685) is (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide.

What is the SMILES notation for (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?

The canonical SMILES for (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide is COc1cc(-c2nc([C@H]3CCCS3(=O)=O)cc(N3CCOC[C@H]3C)n2)c2c(n1)CC=C2.C[C@@H]1COCCN1c1cc(C2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@@H]2CCCS2(=O)=O)nc(-c2cc(F)cc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@@H]2CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc([C@H]2CCCS2(=O)=O)nc(-c2cncc3c2C=CC3)n1.

What is the InChIKey of (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?

The InChIKey is NCTYCJZPXLIWBC-LBFLZRHDSA-N. The full InChI is InChI=1S/2C22H24FN3O3S.C22H26N4O4S.2C21H24N4O3S/c2*1-14-13-29-8-7-26(14)21-12-19(20-6-3-9-30(20,27)28)24-22(25-21)18-11-16(23)10-15-4-2-5-17(15)18;1-14-13-30-9-8-26(14)20-12-18(19-7-4-10-31(19,27)28)24-22(25-20)16-11-21(29-2)23-17-6-3-5-15(16)17;2*1-14-13-28-8-7-25(14)20-10-18(19-6-3-9-29(19,26)27)23-21(24-20)17-12-22-11-15-4-2-5-16(15)17/h2*2,5,10-12,14,20H,3-4,6-9,13H2,1H3;3,5,11-12,14,19H,4,6-10,13H2,1-2H3;2*2,5,10-12,14,19H,3-4,6-9,13H2,1H3/t14-,20?;14-,20+;14-,19-;14-,19+;14-,19-/m11111/s1.

What are the key properties of (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide?

(2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide has a molecular weight of 2126.60 g/mol, XLogP of 14.41, 16 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2S)-2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;2-[2-(6-fluoro-1H-inden-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide;(2R)-2-[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 159743685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).