methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C57H74N14O8S4 — CID 159821153

About methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 159821153) has the molecular formula C57H74N14O8S4 and a molecular weight of 1211.58 g/mol. Its IUPAC name is methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
• PubChem CID: 159821153
• Molecular Formula: C57H74N14O8S4
• Molecular Weight: 1211.58 g/mol
• Exact Mass: 1210.47
• IUPAC Name: methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
• SMILES: C.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5c4cnn5C4CCCCO4)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(C6CCCCO6)cc45)nc(N4CCOCC4)c3s2)CC1
• InChI: InChI=1S/2C28H35N7O4S2.CH4/c1-41(36,37)34-10-8-32(9-11-34)19-20-17-23-26(40-20)28(33-12-15-38-16-13-33)31-27(30-23)21-5-4-6-24-22(21)18-29-35(24)25-7-2-3-14-39-25;1-41(36,37)34-10-8-32(9-11-34)18-20-17-24-26(40-20)28(33-12-15-38-16-13-33)30-27(29-24)21-5-4-6-23-22(21)19-35(31-23)25-7-2-3-14-39-25;/h4-6,17-18,25H,2-3,7-16,19H2,1H3;4-6,17,19,25H,2-3,7-16,18H2,1H3;1H4
• InChIKey: NMGGBIBKRJKGEU-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 211.84 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.58
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The IUPAC name of methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 159821153) is methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

What is the SMILES notation for methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The canonical SMILES for methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is C.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5c4cnn5C4CCCCO4)nc(N4CCOCC4)c3s2)CC1.CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(C6CCCCO6)cc45)nc(N4CCOCC4)c3s2)CC1.

What is the InChIKey of methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

The InChIKey is NMGGBIBKRJKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H35N7O4S2.CH4/c1-41(36,37)34-10-8-32(9-11-34)19-20-17-23-26(40-20)28(33-12-15-38-16-13-33)31-27(30-23)21-5-4-6-24-22(21)18-29-35(24)25-7-2-3-14-39-25;1-41(36,37)34-10-8-32(9-11-34)18-20-17-24-26(40-20)28(33-12-15-38-16-13-33)30-27(29-24)21-5-4-6-23-22(21)19-35(31-23)25-7-2-3-14-39-25;/h4-6,17-18,25H,2-3,7-16,19H2,1H3;4-6,17,19,25H,2-3,7-16,18H2,1H3;1H4.

What are the key properties of methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?

methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 1211.58 g/mol, XLogP of 7.28, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[1-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine;4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[2-(oxan-2-yl)indazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159821153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).