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

C23H24N6OS — CID 71715793

IUPAC5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCc1nccn1Cc1cc(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn12
InChIInChI=1S/C23H24N6OS/c1-4-5-20-25-6-7-28(20)12-16-11-17(21-23(24)26-13-27-29(16)21)19-10-15-8-14(2)9-18(30-3)22(15)31-19/h6-11,13H,4-5,12H2,1-3H3,(H2,24,26,27)
InChIKeyHZIRKMONJYZDBH-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.71
Rot. Bonds6

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

5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 71715793) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID71715793
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCc1nccn1Cc1cc(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn12
InChIInChI=1S/C23H24N6OS/c1-4-5-20-25-6-7-28(20)12-16-11-17(21-23(24)26-13-27-29(16)21)19-10-15-8-14(2)9-18(30-3)22(15)31-19/h6-11,13H,4-5,12H2,1-3H3,(H2,24,26,27)
InChIKeyHZIRKMONJYZDBH-UHFFFAOYSA-N
XLogP4.71
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 71715793) is 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCCc1nccn1Cc1cc(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn12.
What is the InChIKey of 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HZIRKMONJYZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-4-5-20-25-6-7-28(20)12-16-11-17(21-23(24)26-13-27-29(16)21)19-10-15-8-14(2)9-18(30-3)22(15)31-19/h6-11,13H,4-5,12H2,1-3H3,(H2,24,26,27).
What are the key properties of 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 432.55 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)-7-[(2-propylimidazol-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 71715793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).