5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H27N7 — CID 58529653

IUPAC5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1c(Cc2ccccc2)nc2ccc(-c3cc(C4CCNCC4)n4ncnc(N)c34)cc21
InChIInChI=1S/C26H27N7/c1-32-23-14-19(7-8-21(23)31-24(32)13-17-5-3-2-4-6-17)20-15-22(18-9-11-28-12-10-18)33-25(20)26(27)29-16-30-33/h2-8,14-16,18,28H,9-13H2,1H3,(H2,27,29,30)
InChIKeyFETZKDCAQJKWFT-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58529653) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58529653
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC Name5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1c(Cc2ccccc2)nc2ccc(-c3cc(C4CCNCC4)n4ncnc(N)c34)cc21
InChIInChI=1S/C26H27N7/c1-32-23-14-19(7-8-21(23)31-24(32)13-17-5-3-2-4-6-17)20-15-22(18-9-11-28-12-10-18)33-25(20)26(27)29-16-30-33/h2-8,14-16,18,28H,9-13H2,1H3,(H2,27,29,30)
InChIKeyFETZKDCAQJKWFT-UHFFFAOYSA-N
XLogP3.92
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58529653) is 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cn1c(Cc2ccccc2)nc2ccc(-c3cc(C4CCNCC4)n4ncnc(N)c34)cc21.
What is the InChIKey of 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FETZKDCAQJKWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-32-23-14-19(7-8-21(23)31-24(32)13-17-5-3-2-4-6-17)20-15-22(18-9-11-28-12-10-18)33-25(20)26(27)29-16-30-33/h2-8,14-16,18,28H,9-13H2,1H3,(H2,27,29,30).
What are the key properties of 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 437.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzyl-3-methylbenzimidazol-5-yl)-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58529653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).