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

C24H19ClN6O — CID 126492059

IUPAC2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
SMILESCn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccccc5Cl)cc4)ncnn3c2)cn1
InChIInChI=1S/C24H19ClN6O/c1-30-13-19(12-27-30)18-10-22-24(26-15-28-31(22)14-18)16-6-8-20(9-7-16)29-23(32)11-17-4-2-3-5-21(17)25/h2-10,12-15H,11H2,1H3,(H,29,32)
InChIKeyMVVJBNRVZWZZSP-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.63
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide (PubChem CID 126492059) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
PubChem CID126492059
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
SMILESCn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccccc5Cl)cc4)ncnn3c2)cn1
InChIInChI=1S/C24H19ClN6O/c1-30-13-19(12-27-30)18-10-22-24(26-15-28-31(22)14-18)16-6-8-20(9-7-16)29-23(32)11-17-4-2-3-5-21(17)25/h2-10,12-15H,11H2,1H3,(H,29,32)
InChIKeyMVVJBNRVZWZZSP-UHFFFAOYSA-N
XLogP4.63
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide (CID 126492059) is 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide is Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccccc5Cl)cc4)ncnn3c2)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide?
The InChIKey is MVVJBNRVZWZZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-30-13-19(12-27-30)18-10-22-24(26-15-28-31(22)14-18)16-6-8-20(9-7-16)29-23(32)11-17-4-2-3-5-21(17)25/h2-10,12-15H,11H2,1H3,(H,29,32).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide has a molecular weight of 442.91 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide is sourced from PubChem (CID 126492059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).