methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten

C26H38N6O2W — CID 176991021

About methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten

methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten (PubChem CID 176991021) has the molecular formula C26H38N6O2W and a molecular weight of 650.47 g/mol. Its IUPAC name is methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten.

Molecular Properties

• Compound Name: methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten
• PubChem CID: 176991021
• Molecular Formula: C26H38N6O2W
• Molecular Weight: 650.47 g/mol
• Exact Mass: 650.26
• IUPAC Name: methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten
• SMILES: C=CC.CC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2N1)c1cccc(CO)c1.CO.[W]
• InChI: InChI=1S/C22H28N6O.C3H6.CH4O.W/c1-15(17-5-3-4-16(6-17)14-29)8-23-11-20-12-24-21-7-18(9-25-22(21)27-20)19-10-26-28(2)13-19;1-3-2;1-2;/h3-7,9-10,13,15,20,23-24,29H,8,11-12,14H2,1-2H3,(H,25,27);3H,1H2,2H3;2H,1H3
• InChIKey: HLTOWJAHCITYDD-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 107.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten?

The IUPAC name of methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten (CID 176991021) is methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten.

What is the SMILES notation for methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten?

The canonical SMILES for methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten is C=CC.CC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2N1)c1cccc(CO)c1.CO.[W].

What is the InChIKey of methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten?

The InChIKey is HLTOWJAHCITYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O.C3H6.CH4O.W/c1-15(17-5-3-4-16(6-17)14-29)8-23-11-20-12-24-21-7-18(9-25-22(21)27-20)19-10-26-28(2)13-19;1-3-2;1-2;/h3-7,9-10,13,15,20,23-24,29H,8,11-12,14H2,1-2H3,(H,25,27);3H,1H2,2H3;2H,1H3;.

What are the key properties of methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten?

methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten has a molecular weight of 650.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;[3-[1-[[7-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-3-yl]methylamino]propan-2-yl]phenyl]methanol;prop-1-ene;tungsten is sourced from PubChem (CID 176991021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).