7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine

C100H89Br5F2N16S5 — CID 158440783

About 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine

7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 158440783) has the molecular formula C100H89Br5F2N16S5 and a molecular weight of 2112.77 g/mol. Its IUPAC name is 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine
• PubChem CID: 158440783
• Molecular Formula: C100H89Br5F2N16S5
• Molecular Weight: 2112.77 g/mol
• Exact Mass: 2106.19
• IUPAC Name: 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine
• SMILES: Brc1csc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc12.Brc1csc2c(-c3ccnc4c3C=CC4)nc(N3CCCCC3)nc12.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc2c1Br.Fc1ccc(-c2nc(N3CCCCC3)nc3c(Br)csc23)c2c1CC=C2.Fc1ccc2c(c1-c1nc(N3CCCCC3)nc3c(Br)csc13)C=CC2
• InChI: InChI=1S/C21H20BrN3S.2C20H17BrFN3S.C20H18BrN3S.C19H17BrN4S/c1-13-17(22)19-20(26-13)18(16-10-6-8-14-7-5-9-15(14)16)23-21(24-19)25-11-3-2-4-12-25;21-15-11-26-19-17(14-7-8-16(22)13-6-4-5-12(13)14)23-20(24-18(15)19)25-9-2-1-3-10-25;21-14-11-26-19-17(14)23-20(25-9-2-1-3-10-25)24-18(19)16-13-6-4-5-12(13)7-8-15(16)22;21-16-12-25-19-17(15-9-5-7-13-6-4-8-14(13)15)22-20(23-18(16)19)24-10-2-1-3-11-24;20-14-11-25-18-16(13-7-8-21-15-6-4-5-12(13)15)22-19(23-17(14)18)24-9-2-1-3-10-24/h5-6,8-10H,2-4,7,11-12H2,1H3;4-5,7-8,11H,1-3,6,9-10H2;4,6-8,11H,1-3,5,9-10H2;4-5,7-9,12H,1-3,6,10-11H2;4-5,7-8,11H,1-3,6,9-10H2
• InChIKey: HCUDFVRJIQNWPO-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 157.99 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.77
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine?

The IUPAC name of 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 158440783) is 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine.

What is the SMILES notation for 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine?

The canonical SMILES for 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine is Brc1csc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc12.Brc1csc2c(-c3ccnc4c3C=CC4)nc(N3CCCCC3)nc12.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCCCC3)nc2c1Br.Fc1ccc(-c2nc(N3CCCCC3)nc3c(Br)csc23)c2c1CC=C2.Fc1ccc2c(c1-c1nc(N3CCCCC3)nc3c(Br)csc13)C=CC2.

What is the InChIKey of 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine?

The InChIKey is HCUDFVRJIQNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3S.2C20H17BrFN3S.C20H18BrN3S.C19H17BrN4S/c1-13-17(22)19-20(26-13)18(16-10-6-8-14-7-5-9-15(14)16)23-21(24-19)25-11-3-2-4-12-25;21-15-11-26-19-17(14-7-8-16(22)13-6-4-5-12(13)14)23-20(24-18(15)19)25-9-2-1-3-10-25;21-14-11-26-19-17(14)23-20(25-9-2-1-3-10-25)24-18(19)16-13-6-4-5-12(13)7-8-15(16)22;21-16-12-25-19-17(15-9-5-7-13-6-4-8-14(13)15)22-20(23-18(16)19)24-10-2-1-3-11-24;20-14-11-25-18-16(13-7-8-21-15-6-4-5-12(13)15)22-19(23-17(14)18)24-9-2-1-3-10-24/h5-6,8-10H,2-4,7,11-12H2,1H3;4-5,7-8,11H,1-3,6,9-10H2;4,6-8,11H,1-3,5,9-10H2;4-5,7-9,12H,1-3,6,10-11H2;4-5,7-8,11H,1-3,6,9-10H2.

What are the key properties of 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine?

7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 2112.77 g/mol, XLogP of 28.38, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-4-(7H-cyclopenta[b]pyridin-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(5-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(7-fluoro-1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-6-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidine;7-bromo-4-(1H-inden-4-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 158440783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).