[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H23N5O3 — CID 56951311

IUPAC[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn12
InChIInChI=1S/C24H23N5O3/c1-31-22-5-3-2-4-20(22)21-11-10-19-16-25-24(27-29(19)21)26-18-8-6-17(7-9-18)23(30)28-12-14-32-15-13-28/h2-11,16H,12-15H2,1H3,(H,26,27)
InChIKeyVFKPLCLOSWACIS-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.62
Rot. Bonds5

About [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 56951311) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID56951311
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1-c1ccc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn12
InChIInChI=1S/C24H23N5O3/c1-31-22-5-3-2-4-20(22)21-11-10-19-16-25-24(27-29(19)21)26-18-8-6-17(7-9-18)23(30)28-12-14-32-15-13-28/h2-11,16H,12-15H2,1H3,(H,26,27)
InChIKeyVFKPLCLOSWACIS-UHFFFAOYSA-N
XLogP3.62
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 56951311) is [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is COc1ccccc1-c1ccc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nn12.
What is the InChIKey of [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VFKPLCLOSWACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-22-5-3-2-4-20(22)21-11-10-19-16-25-24(27-29(19)21)26-18-8-6-17(7-9-18)23(30)28-12-14-32-15-13-28/h2-11,16H,12-15H2,1H3,(H,26,27).
What are the key properties of [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 429.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56951311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).