4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide

C30H26F2N6O5 — CID 118203827

About 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide

4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 118203827) has the molecular formula C30H26F2N6O5 and a molecular weight of 588.57 g/mol. Its IUPAC name is 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 118203827
• Molecular Formula: C30H26F2N6O5
• Molecular Weight: 588.57 g/mol
• Exact Mass: 588.19
• IUPAC Name: 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(C(=O)N(C)C)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H26F2N6O5/c1-17(2)36-16-22(29(41)38(30(36)42)21-8-5-19(31)6-9-21)27(39)34-20-7-10-25(23(32)14-20)43-26-13-18(28(40)35(3)4)15-37-24(26)11-12-33-37/h5-17H,1-4H3,(H,34,39)
• InChIKey: ZBGIXHJOGLAMTQ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 119.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.57
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 118203827) is 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(C(=O)N(C)C)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is ZBGIXHJOGLAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O5/c1-17(2)36-16-22(29(41)38(30(36)42)21-8-5-19(31)6-9-21)27(39)34-20-7-10-25(23(32)14-20)43-26-13-18(28(40)35(3)4)15-37-24(26)11-12-33-37/h5-17H,1-4H3,(H,34,39).

What are the key properties of 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide?

4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 588.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-N,N-dimethylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 118203827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).