6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H21N5O2S — CID 71599766

IUPAC6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cc(C)cc2cc(-c3c(COCCN)cn4ncnc(N)c34)sc12
InChIInChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
InChIKeyNSZYKHCVXAXWHM-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.99
Rot. Bonds6

About 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 71599766) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID71599766
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1cc(C)cc2cc(-c3c(COCCN)cn4ncnc(N)c34)sc12
InChIInChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23)
InChIKeyNSZYKHCVXAXWHM-UHFFFAOYSA-N
XLogP2.99
TPSA100.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Rogaratinib
CID 71611869
4-[[4-Amino-7-chloro-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperazin-2-one
CID 71580718
6-(Ethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 71612126
6-(Cyclobutyloxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 71612127
2-{[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo-[2,1-f][1,2,4]triazin-6-yl]methoxy}acetamide
CID 71612249
7-[[(3S)-3-amino-3-methylpyrrolidin-1-yl]methyl]-6-(ethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89620466
1-[[4-Amino-7-chloro-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methylamino]-2-methylpropan-2-ol
CID 89620731
N-[[7-(acetamidomethyl)-4-amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]acetamide
CID 89622288
N-[[4-amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]acetamide
CID 89622320
2-[[4-Amino-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methoxy]ethanol
CID 89622324
6-(Methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89622428
6-(Cyclopropylmethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 89622845

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 71599766) is 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1cc(C)cc2cc(-c3c(COCCN)cn4ncnc(N)c34)sc12.
What is the InChIKey of 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NSZYKHCVXAXWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11-5-12-7-15(27-18(12)14(6-11)25-2)16-13(9-26-4-3-20)8-24-17(16)19(21)22-10-23-24/h5-8,10H,3-4,9,20H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 383.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 71599766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).