N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C42H53BrN12O9S4 — CID 160769913

About N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 160769913) has the molecular formula C42H53BrN12O9S4 and a molecular weight of 1078.13 g/mol. Its IUPAC name is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• PubChem CID: 160769913
• Molecular Formula: C42H53BrN12O9S4
• Molecular Weight: 1078.13 g/mol
• Exact Mass: 1076.21
• IUPAC Name: N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)O)CC4)csc23)cc1NS(C)(=O)=O
• InChI: InChI=1S/C25H35N7O5S2.C17H18BrN5O4S2/c1-25(2,33)32-7-5-30(6-8-32)15-18-16-38-22-20(27-24(28-21(18)22)31-9-11-37-12-10-31)17-13-19(29-39(4,34)35)23(36-3)26-14-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23/h13-14,16,29,33H,5-12,15H2,1-4H3;7-9,22H,3-6H2,1-2H3
• InChIKey: RZEFLFVLHIXSSV-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 239.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.13
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 160769913) is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(C)(C)O)CC4)csc23)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The InChIKey is RZEFLFVLHIXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O5S2.C17H18BrN5O4S2/c1-25(2,33)32-7-5-30(6-8-32)15-18-16-38-22-20(27-24(28-21(18)22)31-9-11-37-12-10-31)17-13-19(29-39(4,34)35)23(36-3)26-14-17;1-26-16-12(22-29(2,24)25)7-10(8-19-16)13-15-14(11(18)9-28-15)21-17(20-13)23-3-5-27-6-4-23/h13-14,16,29,33H,5-12,15H2,1-4H3;7-9,22H,3-6H2,1-2H3.

What are the key properties of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 1078.13 g/mol, XLogP of 4.55, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide;N-[5-[7-[[4-(2-hydroxypropan-2-yl)piperazin-1-yl]methyl]-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 160769913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).