2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide

C25H22N6O2 — CID 126492055

IUPAC2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1
InChIInChI=1S/C25H22N6O2/c1-30-14-20(13-27-30)19-12-22-23(26-16-28-31(22)15-19)17-8-10-21(11-9-17)29-25(32)24(33-2)18-6-4-3-5-7-18/h3-16,24H,1-2H3,(H,29,32)
InChIKeyFZXYOXUQPVWJHP-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.12
Rot. Bonds6

About 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide

2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide (PubChem CID 126492055) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
PubChem CID126492055
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1
InChIInChI=1S/C25H22N6O2/c1-30-14-20(13-27-30)19-12-22-23(26-16-28-31(22)15-19)17-8-10-21(11-9-17)29-25(32)24(33-2)18-6-4-3-5-7-18/h3-16,24H,1-2H3,(H,29,32)
InChIKeyFZXYOXUQPVWJHP-UHFFFAOYSA-N
XLogP4.12
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide (CID 126492055) is 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide is COC(C(=O)Nc1ccc(-c2ncnn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
The InChIKey is FZXYOXUQPVWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-30-14-20(13-27-30)19-12-22-23(26-16-28-31(22)15-19)17-8-10-21(11-9-17)29-25(32)24(33-2)18-6-4-3-5-7-18/h3-16,24H,1-2H3,(H,29,32).
What are the key properties of 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide has a molecular weight of 438.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 126492055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).