[4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)

C100H90FN3O5P4Pd — CID 173092347

About [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)

[4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane) (PubChem CID 173092347) has the molecular formula C100H90FN3O5P4Pd and a molecular weight of 1663.15 g/mol. Its IUPAC name is [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 173092347
• Molecular Formula: C100H90FN3O5P4Pd
• Molecular Weight: 1663.15 g/mol
• Exact Mass: 1661.48
• IUPAC Name: [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)
• SMILES: O=C(O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3cccc(CCCO)c3)c2)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H30FN3O5.4C18H15P.Pd/c29-21-16-25(26(34)31-22-9-11-23(12-10-22)32-28(35)36)27(30-17-21)37-24-8-2-7-20(15-24)19-6-1-4-18(14-19)5-3-13-33;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-2,4,6-8,14-17,22-23,32-33H,3,5,9-13H2,(H,31,34)(H,35,36);4*1-15H
• InChIKey: XZZCZGUJBJRNNO-UHFFFAOYSA-N
• XLogP: 18.69
• TPSA: 120.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1663.15
LogP ≤ 5	18.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane) (CID 173092347) is [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane) is O=C(O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3cccc(CCCO)c3)c2)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)?

The InChIKey is XZZCZGUJBJRNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O5.4C18H15P.Pd/c29-21-16-25(26(34)31-22-9-11-23(12-10-22)32-28(35)36)27(30-17-21)37-24-8-2-7-20(15-24)19-6-1-4-18(14-19)5-3-13-33;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-2,4,6-8,14-17,22-23,32-33H,3,5,9-13H2,(H,31,34)(H,35,36);4*1-15H;.

What are the key properties of [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane)?

[4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1663.15 g/mol, XLogP of 18.69, 21 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[5-fluoro-2-[3-[3-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 173092347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).