1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide

C75H82N24O11S2 — CID 157280262

About 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide

1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide (PubChem CID 157280262) has the molecular formula C75H82N24O11S2 and a molecular weight of 1559.77 g/mol. Its IUPAC name is 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide
• PubChem CID: 157280262
• Molecular Formula: C75H82N24O11S2
• Molecular Weight: 1559.77 g/mol
• Exact Mass: 1558.60
• IUPAC Name: 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)cc1.C=CS(=O)(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)CC1.C=CS(=O)(=O)Nc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)cc1
• InChI: InChI=1S/C26H26N8O3.C25H26N8O4S.C24H30N8O4S/c1-3-22(35)29-18-8-10-20(11-9-18)34-25-21(16-28-34)24(33-12-14-37-15-13-33)31-23(32-25)17-4-6-19(7-5-17)30-26(36)27-2;1-3-38(35,36)31-19-8-10-20(11-9-19)33-24-21(16-27-33)23(32-12-14-37-15-13-32)29-22(30-24)17-4-6-18(7-5-17)28-25(34)26-2;1-3-37(34,35)31-10-8-19(9-11-31)32-23-20(16-26-32)22(30-12-14-36-15-13-30)28-21(29-23)17-4-6-18(7-5-17)27-24(33)25-2/h3-11,16H,1,12-15H2,2H3,(H,29,35)(H2,27,30,36);3-11,16,31H,1,12-15H2,2H3,(H2,26,28,34);3-7,16,19H,1,8-15H2,2H3,(H2,25,27,33)
• InChIKey: AZOSEAFTZZDOIP-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 404.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1559.77
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide?

The IUPAC name of 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide (CID 157280262) is 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide.

What is the SMILES notation for 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide?

The canonical SMILES for 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)cc1.C=CS(=O)(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)CC1.C=CS(=O)(=O)Nc1ccc(-n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)NC)cc4)nc32)cc1.

What is the InChIKey of 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide?

The InChIKey is AZOSEAFTZZDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O3.C25H26N8O4S.C24H30N8O4S/c1-3-22(35)29-18-8-10-20(11-9-18)34-25-21(16-28-34)24(33-12-14-37-15-13-33)31-23(32-25)17-4-6-19(7-5-17)30-26(36)27-2;1-3-38(35,36)31-19-8-10-20(11-9-19)33-24-21(16-27-33)23(32-12-14-37-15-13-32)29-22(30-24)17-4-6-18(7-5-17)28-25(34)26-2;1-3-37(34,35)31-10-8-19(9-11-31)32-23-20(16-26-32)22(30-12-14-36-15-13-30)28-21(29-23)17-4-6-18(7-5-17)27-24(33)25-2/h3-11,16H,1,12-15H2,2H3,(H,29,35)(H2,27,30,36);3-11,16,31H,1,12-15H2,2H3,(H2,26,28,34);3-7,16,19H,1,8-15H2,2H3,(H2,25,27,33).

What are the key properties of 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide?

1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide has a molecular weight of 1559.77 g/mol, XLogP of 8.34, 19 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-[4-(ethenylsulfonylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;1-[4-[1-(1-ethenylsulfonylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-methylurea;N-[4-[6-[4-(methylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 157280262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).