N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride

C54H73ClN16O10S4 — CID 158658847

About N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride

N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride (PubChem CID 158658847) has the molecular formula C54H73ClN16O10S4 and a molecular weight of 1270.00 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride
• PubChem CID: 158658847
• Molecular Formula: C54H73ClN16O10S4
• Molecular Weight: 1270.00 g/mol
• Exact Mass: 1268.43
• IUPAC Name: N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride
• SMILES: COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)N5CCCC5)CC4)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)cc1NS(C)(=O)=O.O=C(Cl)N1CCCC1
• InChI: InChI=1S/C27H36N8O5S2.C22H29N7O4S2.C5H8ClNO/c1-39-25-21(31-42(2,37)38)15-19(16-28-25)22-24-23(30-26(29-22)33-11-13-40-14-12-33)20(18-41-24)17-32-7-9-35(10-8-32)27(36)34-5-3-4-6-34;1-32-21-17(27-35(2,30)31)11-15(12-24-21)18-20-19(26-22(25-18)29-7-9-33-10-8-29)16(14-34-20)13-28-5-3-23-4-6-28;6-5(8)7-3-1-2-4-7/h15-16,18,31H,3-14,17H2,1-2H3;11-12,14,23,27H,3-10,13H2,1-2H3;1-4H2
• InChIKey: ICMNQFYFUHLAOU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 275.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.00
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride?

The IUPAC name of N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride (CID 158658847) is N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride.

What is the SMILES notation for N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride?

The canonical SMILES for N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride is COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCN(C(=O)N5CCCC5)CC4)csc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCNCC4)csc23)cc1NS(C)(=O)=O.O=C(Cl)N1CCCC1.

What is the InChIKey of N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride?

The InChIKey is ICMNQFYFUHLAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O5S2.C22H29N7O4S2.C5H8ClNO/c1-39-25-21(31-42(2,37)38)15-19(16-28-25)22-24-23(30-26(29-22)33-11-13-40-14-12-33)20(18-41-24)17-32-7-9-35(10-8-32)27(36)34-5-3-4-6-34;1-32-21-17(27-35(2,30)31)11-15(12-24-21)18-20-19(26-22(25-18)29-7-9-33-10-8-29)16(14-34-20)13-28-5-3-23-4-6-28;6-5(8)7-3-1-2-4-7/h15-16,18,31H,3-14,17H2,1-2H3;11-12,14,23,27H,3-10,13H2,1-2H3;1-4H2.

What are the key properties of N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride?

N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride has a molecular weight of 1270.00 g/mol, XLogP of 5.12, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[2-morpholin-4-yl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;N-[2-methoxy-5-[2-morpholin-4-yl-7-[[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]-3-pyridinyl]methanesulfonamide;pyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 158658847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).