2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid

C28H19F5N6O5 — CID 172690121

IUPAC2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3cc(-c4ccncc4)cc23)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H18F2N6O3.C2HF3O2/c27-19-3-1-16(2-4-19)11-24(35)33-26(36)32-20-5-6-23(21(28)13-20)37-25-22-12-18(14-34(22)31-15-30-25)17-7-9-29-10-8-17;3-2(4,5)1(6)7/h1-10,12-15H,11H2,(H2,32,33,35,36);(H,6,7)
InChIKeyBOKQTRUUIHZZMH-UHFFFAOYSA-N
MW614.49 g/mol
LogP5.39
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid

2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 172690121) has the molecular formula C28H19F5N6O5 and a molecular weight of 614.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID172690121
Molecular FormulaC28H19F5N6O5
Molecular Weight614.49 g/mol
Exact Mass614.13
IUPAC Name2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3cc(-c4ccncc4)cc23)c(F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H18F2N6O3.C2HF3O2/c27-19-3-1-16(2-4-19)11-24(35)33-26(36)32-20-5-6-23(21(28)13-20)37-25-22-12-18(14-34(22)31-15-30-25)17-7-9-29-10-8-17;3-2(4,5)1(6)7/h1-10,12-15H,11H2,(H2,32,33,35,36);(H,6,7)
InChIKeyBOKQTRUUIHZZMH-UHFFFAOYSA-N
XLogP5.39
TPSA147.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.49
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid (CID 172690121) is 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid is O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3cc(-c4ccncc4)cc23)c(F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BOKQTRUUIHZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N6O3.C2HF3O2/c27-19-3-1-16(2-4-19)11-24(35)33-26(36)32-20-5-6-23(21(28)13-20)37-25-22-12-18(14-34(22)31-15-30-25)17-7-9-29-10-8-17;3-2(4,5)1(6)7/h1-10,12-15H,11H2,(H2,32,33,35,36);(H,6,7).
What are the key properties of 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid?
2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 614.49 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172690121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).