ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C25H24N6O2 — CID 57090642

IUPACethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3cccc4c3cnn4Cc3ccccc3)c2c1CC
InChIInChI=1S/C25H24N6O2/c1-3-18-20(25(32)33-4-2)15-31-23(18)24(26-16-28-31)29-21-11-8-12-22-19(21)13-27-30(22)14-17-9-6-5-7-10-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
InChIKeyQVZVMXGTYYWUFV-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.61
Rot. Bonds7

About ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 57090642) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID57090642
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Nameethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2ncnc(Nc3cccc4c3cnn4Cc3ccccc3)c2c1CC
InChIInChI=1S/C25H24N6O2/c1-3-18-20(25(32)33-4-2)15-31-23(18)24(26-16-28-31)29-21-11-8-12-22-19(21)13-27-30(22)14-17-9-6-5-7-10-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29)
InChIKeyQVZVMXGTYYWUFV-UHFFFAOYSA-N
XLogP4.61
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate with MolForge

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Related Compounds

ethyl 5-benzyl-4-(3-chloro-4-fluoroanilino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 68890652
ethyl 6-benzyl-1-methylpyrrolo[2,3-e]indazole-3-carboxylate
CID 68710134
[(3S)-pyrrolidin-3-yl]methyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 10052053
2-[2-(dimethylamino)ethoxy]ethyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67137598
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
(1-methylpiperidin-4-yl) N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67137717
ethyl 1-benzyl-5-propan-2-ylpyrazole-4-carboxylate
CID 60768852
ethyl (E)-4-(1-benzylindazol-4-yl)but-2-enoate
CID 170706211
(1-acetylpiperidin-4-yl) N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67136475
ethyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 57313259
[1-(2-methoxyethyl)azetidin-3-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67137607
[1-(2-hydroxyacetyl)piperidin-4-yl] N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 67138192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 57090642) is ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cn2ncnc(Nc3cccc4c3cnn4Cc3ccccc3)c2c1CC.
What is the InChIKey of ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is QVZVMXGTYYWUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-3-18-20(25(32)33-4-2)15-31-23(18)24(26-16-28-31)29-21-11-8-12-22-19(21)13-27-30(22)14-17-9-6-5-7-10-17/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,28,29).
What are the key properties of ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 440.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-benzylindazol-4-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 57090642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).