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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[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
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3cc(C(=O)N(C)C)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=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)
InChIKeyZBGIXHJOGLAMTQ-UHFFFAOYSA-N
MW588.57 g/mol
LogP4.25
Rot. Bonds7

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 Name4-[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 CID118203827
Molecular FormulaC30H26F2N6O5
Molecular Weight588.57 g/mol
Exact Mass588.19
IUPAC Name4-[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
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3cc(C(=O)N(C)C)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=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)
InChIKeyZBGIXHJOGLAMTQ-UHFFFAOYSA-N
XLogP4.25
TPSA119.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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).

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