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

C24H20N6O2 — CID 126492052

IUPAC2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
SMILESCn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)ncnn3c2)cn1
InChIInChI=1S/C24H20N6O2/c1-29-13-19(12-26-29)18-11-21-22(25-15-27-30(21)14-18)16-7-9-20(10-8-16)28-24(32)23(31)17-5-3-2-4-6-17/h2-15,23,31H,1H3,(H,28,32)
InChIKeyKBUQADBQCFFYQY-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.47
Rot. Bonds5

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

2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide (PubChem CID 126492052) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
PubChem CID126492052
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide
SMILESCn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)ncnn3c2)cn1
InChIInChI=1S/C24H20N6O2/c1-29-13-19(12-26-29)18-11-21-22(25-15-27-30(21)14-18)16-7-9-20(10-8-16)28-24(32)23(31)17-5-3-2-4-6-17/h2-15,23,31H,1H3,(H,28,32)
InChIKeyKBUQADBQCFFYQY-UHFFFAOYSA-N
XLogP3.47
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-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-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide (CID 126492052) is 2-hydroxy-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-hydroxy-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-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide is Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)ncnn3c2)cn1.
What is the InChIKey of 2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
The InChIKey is KBUQADBQCFFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-29-13-19(12-26-29)18-11-21-22(25-15-27-30(21)14-18)16-7-9-20(10-8-16)28-24(32)23(31)17-5-3-2-4-6-17/h2-15,23,31H,1H3,(H,28,32).
What are the key properties of 2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-phenylacetamide?
2-hydroxy-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 424.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-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 126492052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).