[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate

C24H24ClN5O5 — CID 45279403

IUPAC[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate
SMILESCOc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)OC(=O)CN
InChIInChI=1S/C24H24ClN5O5/c1-24(2,35-22(31)10-26)13-34-20-7-5-17(9-21(20)33-3)29-14-28-30-12-15(8-19(30)23(29)32)18-6-4-16(25)11-27-18/h4-9,11-12,14H,10,13,26H2,1-3H3
InChIKeyTWBJZUVNNVQVQP-UHFFFAOYSA-N
MW497.94 g/mol
LogP2.87
Rot. Bonds8

About [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate

[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate (PubChem CID 45279403) has the molecular formula C24H24ClN5O5 and a molecular weight of 497.94 g/mol. Its IUPAC name is [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate.

Molecular Properties

Compound Name[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate
PubChem CID45279403
Molecular FormulaC24H24ClN5O5
Molecular Weight497.94 g/mol
Exact Mass497.15
IUPAC Name[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate
SMILESCOc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)OC(=O)CN
InChIInChI=1S/C24H24ClN5O5/c1-24(2,35-22(31)10-26)13-34-20-7-5-17(9-21(20)33-3)29-14-28-30-12-15(8-19(30)23(29)32)18-6-4-16(25)11-27-18/h4-9,11-12,14H,10,13,26H2,1-3H3
InChIKeyTWBJZUVNNVQVQP-UHFFFAOYSA-N
XLogP2.87
TPSA122.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate?
The IUPAC name of [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate (CID 45279403) is [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate.
What is the SMILES notation for [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate?
The canonical SMILES for [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate is COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)OC(=O)CN.
What is the InChIKey of [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate?
The InChIKey is TWBJZUVNNVQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5/c1-24(2,35-22(31)10-26)13-34-20-7-5-17(9-21(20)33-3)29-14-28-30-12-15(8-19(30)23(29)32)18-6-4-16(25)11-27-18/h4-9,11-12,14H,10,13,26H2,1-3H3.
What are the key properties of [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate?
[1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate has a molecular weight of 497.94 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[6-(5-chloro-2-pyridinyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-methoxyphenoxy]-2-methylpropan-2-yl] 2-aminoacetate is sourced from PubChem (CID 45279403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).