ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide

C112H145N31O21S8 — CID 157068183

About ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide

ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide (PubChem CID 157068183) has the molecular formula C112H145N31O21S8 and a molecular weight of 2518.12 g/mol. Its IUPAC name is ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide.

Molecular Properties

• Compound Name: ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide
• PubChem CID: 157068183
• Molecular Formula: C112H145N31O21S8
• Molecular Weight: 2518.12 g/mol
• Exact Mass: 2515.90
• IUPAC Name: ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide
• SMILES: CCOC(=O)CCCn1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(S(C)(=O)=O)CC5)cc4n3)cccc2n1.CCOC(=O)CCCn1ncc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(S(C)(=O)=O)CC5)cc4n3)cccc21.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5c4cnn5CCCC(=O)NO)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(CCCC(=O)NO)cc45)nc(N4CCOCC4)c3s2)CC1.NO
• InChI: InChI=1S/2C29H37N7O5S2.2C27H34N8O5S2.H3NO/c1-3-41-26(37)8-5-9-36-25-7-4-6-22(23(25)19-30-36)28-31-24-18-21(20-33-10-12-35(13-11-33)43(2,38)39)42-27(24)29(32-28)34-14-16-40-17-15-34;1-3-41-26(37)8-5-9-35-20-23-22(6-4-7-24(23)32-35)28-30-25-18-21(19-33-10-12-36(13-11-33)43(2,38)39)42-27(25)29(31-28)34-14-16-40-17-15-34;1-42(38,39)34-10-8-32(9-11-34)18-19-16-22-25(41-19)27(33-12-14-40-15-13-33)30-26(29-22)20-4-2-5-23-21(20)17-28-35(23)7-3-6-24(36)31-37;1-42(38,39)35-10-8-32(9-11-35)17-19-16-23-25(41-19)27(33-12-14-40-15-13-33)29-26(28-23)20-4-2-5-22-21(20)18-34(30-22)7-3-6-24(36)31-37;1-2/h4,6-7,18-19H,3,5,8-17,20H2,1-2H3;4,6-7,18,20H,3,5,8-17,19H2,1-2H3;2,4-5,16-17,37H,3,6-15,18H2,1H3,(H,31,36);2,4-5,16,18,37H,3,6-15,17H2,1H3,(H,31,36);2H,1H2
• InChIKey: ACCTWILFLIMJTQ-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 584.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.12
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide?

The IUPAC name of ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide (CID 157068183) is ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide.

What is the SMILES notation for ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide?

The canonical SMILES for ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide is CCOC(=O)CCCn1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(S(C)(=O)=O)CC5)cc4n3)cccc2n1.CCOC(=O)CCCn1ncc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(S(C)(=O)=O)CC5)cc4n3)cccc21.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5c4cnn5CCCC(=O)NO)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(CCCC(=O)NO)cc45)nc(N4CCOCC4)c3s2)CC1.NO.

What is the InChIKey of ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide?

The InChIKey is ACCTWILFLIMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H37N7O5S2.2C27H34N8O5S2.H3NO/c1-3-41-26(37)8-5-9-36-25-7-4-6-22(23(25)19-30-36)28-31-24-18-21(20-33-10-12-35(13-11-33)43(2,38)39)42-27(24)29(32-28)34-14-16-40-17-15-34;1-3-41-26(37)8-5-9-35-20-23-22(6-4-7-24(23)32-35)28-30-25-18-21(19-33-10-12-36(13-11-33)43(2,38)39)42-27(25)29(31-28)34-14-16-40-17-15-34;1-42(38,39)34-10-8-32(9-11-34)18-19-16-22-25(41-19)27(33-12-14-40-15-13-33)30-26(29-22)20-4-2-5-23-21(20)17-28-35(23)7-3-6-24(36)31-37;1-42(38,39)35-10-8-32(9-11-35)17-19-16-23-25(41-19)27(33-12-14-40-15-13-33)29-26(28-23)20-4-2-5-22-21(20)18-34(30-22)7-3-6-24(36)31-37;1-2/h4,6-7,18-19H,3,5,8-17,20H2,1-2H3;4,6-7,18,20H,3,5,8-17,19H2,1-2H3;2,4-5,16-17,37H,3,6-15,18H2,1H3,(H,31,36);2,4-5,16,18,37H,3,6-15,17H2,1H3,(H,31,36);2H,1H2.

What are the key properties of ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide?

ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide has a molecular weight of 2518.12 g/mol, XLogP of 9.08, 38 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanoate;ethyl 4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanoate;hydroxylamine;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-1-yl]butanamide;N-hydroxy-4-[4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]indazol-2-yl]butanamide is sourced from PubChem (CID 157068183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).