(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

C64H55Cl3N10O6S3 — CID 158937262

About (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine

(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 158937262) has the molecular formula C64H55Cl3N10O6S3 and a molecular weight of 1262.77 g/mol. Its IUPAC name is (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• PubChem CID: 158937262
• Molecular Formula: C64H55Cl3N10O6S3
• Molecular Weight: 1262.77 g/mol
• Exact Mass: 1260.25
• IUPAC Name: (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
• SMILES: CN(C)C1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ncnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2
• InChI: InChI=1S/C23H24ClN3O2S.C21H16ClN3O2S.C20H15ClN4O2S/c1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19;22-12-7-11-8-18(20-15-10-23-4-2-16(15)25-27-20)26-19(11)14(9-12)13-1-5-24-17-3-6-28-21(13)17;21-11-5-10-6-16(19-13-8-22-3-1-14(13)25-27-19)26-18(10)12(7-11)17-20-15(2-4-28-20)23-9-24-17/h5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3;1,3,5-7,9,18,23H,2,4,8,10H2;2,4-5,7,9,16,22H,1,3,6,8H2
• InChIKey: JJUOEHKGPLRWHI-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 178.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.77
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The IUPAC name of (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 158937262) is (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

What is the SMILES notation for (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The canonical SMILES for (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is CN(C)C1CCCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5ccsc45)c3O2)C1.Clc1cc2c(c(-c3ccnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.Clc1cc2c(c(-c3ncnc4ccsc34)c1)OC(c1onc3c1CNCC3)C2.

What is the InChIKey of (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

The InChIKey is JJUOEHKGPLRWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2S.C21H16ClN3O2S.C20H15ClN4O2S/c1-26(2)16-4-3-8-27(13-16)23(28)20-11-14-10-15(24)12-18(21(14)29-20)17-5-7-25-19-6-9-30-22(17)19;22-12-7-11-8-18(20-15-10-23-4-2-16(15)25-27-20)26-19(11)14(9-12)13-1-5-24-17-3-6-28-21(13)17;21-11-5-10-6-16(19-13-8-22-3-1-14(13)25-27-19)26-18(10)12(7-11)17-20-15(2-4-28-20)23-9-24-17/h5-7,9-10,12,16,20H,3-4,8,11,13H2,1-2H3;1,3,5-7,9,18,23H,2,4,8,10H2;2,4-5,7,9,16,22H,1,3,6,8H2.

What are the key properties of (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?

(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 1262.77 g/mol, XLogP of 13.72, 7 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-[3-(dimethylamino)piperidin-1-yl]methanone;3-(5-chloro-7-thieno[3,2-b]pyridin-7-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-(5-chloro-7-thieno[3,2-d]pyrimidin-4-yl-2,3-dihydro-1-benzofuran-2-yl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 158937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).