N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C25H26N6O — CID 23646548

IUPACN-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCOCc1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1CC
InChIInChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
InChIKeyCBDBASHBUAODSV-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.97
Rot. Bonds8

About N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 23646548) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID23646548
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCOCc1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1CC
InChIInChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
InChIKeyCBDBASHBUAODSV-UHFFFAOYSA-N
XLogP4.97
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine
CID 92132733
2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
CID 90655897
2-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethanol
CID 10159833
5-(2-aminoethoxymethyl)-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10194801
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-(piperidin-4-yloxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10195479
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10217304
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2S)-morpholin-2-yl]methoxymethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10217590
5-(4-aminobutoxymethyl)-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 10226418
1-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-ol
CID 10310843
4-(1-benzyl-1H-indazol-5-ylamino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 16730263
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747280
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 23646548) is N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CCOCc1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1CC.
What is the InChIKey of N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CBDBASHBUAODSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29).
What are the key properties of N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 426.52 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylindazol-5-yl)-6-(ethoxymethyl)-5-ethylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 23646548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).