N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C30H25F2N5O4 — CID 59159943

About N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 59159943) has the molecular formula C30H25F2N5O4 and a molecular weight of 557.56 g/mol. Its IUPAC name is N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 59159943
• Molecular Formula: C30H25F2N5O4
• Molecular Weight: 557.56 g/mol
• Exact Mass: 557.19
• IUPAC Name: N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3N3CCOCC3)c(F)c2)c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C30H25F2N5O4/c1-18-2-8-23(30(39)37(18)22-6-3-20(31)4-7-22)29(38)34-21-5-9-27(24(32)15-21)41-28-14-19-17-33-35-25(19)16-26(28)36-10-12-40-13-11-36/h2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,38)
• InChIKey: MCUXEKGTSNECNF-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 101.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.56
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 59159943) is N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Oc3cc4cn[nH]c4cc3N3CCOCC3)c(F)c2)c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is MCUXEKGTSNECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O4/c1-18-2-8-23(30(39)37(18)22-6-3-20(31)4-7-22)29(38)34-21-5-9-27(24(32)15-21)41-28-14-19-17-33-35-25(19)16-26(28)36-10-12-40-13-11-36/h2-9,14-17H,10-13H2,1H3,(H,33,35)(H,34,38).

What are the key properties of N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 557.56 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).