2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol

C24H25ClN6O — CID 66711825

IUPAC2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Nc3ncc4ccc(-c5cccc(Cl)c5)n4n3)c2)CC1
InChIInChI=1S/C24H25ClN6O/c25-19-4-1-3-18(15-19)23-8-7-22-17-26-24(28-31(22)23)27-20-5-2-6-21(16-20)30-11-9-29(10-12-30)13-14-32/h1-8,15-17,32H,9-14H2,(H,27,28)
InChIKeyAVTKZUCYEBAWNZ-UHFFFAOYSA-N
MW448.96 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol

2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol (PubChem CID 66711825) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
PubChem CID66711825
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc(Nc3ncc4ccc(-c5cccc(Cl)c5)n4n3)c2)CC1
InChIInChI=1S/C24H25ClN6O/c25-19-4-1-3-18(15-19)23-8-7-22-17-26-24(28-31(22)23)27-20-5-2-6-21(16-20)30-11-9-29(10-12-30)13-14-32/h1-8,15-17,32H,9-14H2,(H,27,28)
InChIKeyAVTKZUCYEBAWNZ-UHFFFAOYSA-N
XLogP3.91
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-[4-[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 66710933
[1-[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-4-yl]methanol
CID 66712747
(2S)-1-[4-[3-[[7-(5-chloro-2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 66711177
N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711644
N-(1,3-benzodioxol-5-yl)-7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710929
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712093
N-(3H-1,2-benzodioxol-5-yl)-7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 87399201
7-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712599
7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711673
[4-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 66711226
N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711044
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol (CID 66711825) is 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccc(Nc3ncc4ccc(-c5cccc(Cl)c5)n4n3)c2)CC1.
What is the InChIKey of 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
The InChIKey is AVTKZUCYEBAWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c25-19-4-1-3-18(15-19)23-8-7-22-17-26-24(28-31(22)23)27-20-5-2-6-21(16-20)30-11-9-29(10-12-30)13-14-32/h1-8,15-17,32H,9-14H2,(H,27,28).
What are the key properties of 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol?
2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol has a molecular weight of 448.96 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 66711825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).