N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)

C107H98FN5O4P4Pd — CID 173092618

About N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)

N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane) (PubChem CID 173092618) has the molecular formula C107H98FN5O4P4Pd and a molecular weight of 1767.31 g/mol. Its IUPAC name is N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)
• PubChem CID: 173092618
• Molecular Formula: C107H98FN5O4P4Pd
• Molecular Weight: 1767.31 g/mol
• Exact Mass: 1765.56
• IUPAC Name: N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)
• SMILES: O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(CCCO)cc3)c2)CC1)c1cc2n(n1)CCCC2.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C35H38FN5O4.4C18H15P.Pd/c36-26-20-31(35(37-22-26)45-30-8-3-6-25(19-30)24-11-9-23(10-12-24)5-4-18-42)33(43)38-27-13-15-28(16-14-27)39-34(44)32-21-29-7-1-2-17-41(29)40-32;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3,6,8-12,19-22,27-28,42H,1-2,4-5,7,13-18H2,(H,38,43)(H,39,44);4*1-15H
• InChIKey: XOYLNECSJIBHAT-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 118.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1767.31
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)?

The IUPAC name of N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane) (CID 173092618) is N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane).

What is the SMILES notation for N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)?

The canonical SMILES for N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane) is O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(CCCO)cc3)c2)CC1)c1cc2n(n1)CCCC2.[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 N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)?

The InChIKey is XOYLNECSJIBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FN5O4.4C18H15P.Pd/c36-26-20-31(35(37-22-26)45-30-8-3-6-25(19-30)24-11-9-23(10-12-24)5-4-18-42)33(43)38-27-13-15-28(16-14-27)39-34(44)32-21-29-7-1-2-17-41(29)40-32;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3,6,8-12,19-22,27-28,42H,1-2,4-5,7,13-18H2,(H,38,43)(H,39,44);4*1-15H;.

What are the key properties of N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane)?

N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1767.31 g/mol, XLogP of 19.39, 22 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-fluoro-2-[3-[4-(3-hydroxypropyl)phenyl]phenoxy]pyridine-3-carbonyl]amino]cyclohexyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 173092618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).