7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

C29H30N8 — CID 53325637

IUPAC7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)ncnn34)C2)CC1
InChIInChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32)
InChIKeyCAXBBGZEJPMNQW-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.08
Rot. Bonds4

About 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 53325637) has the molecular formula C29H30N8 and a molecular weight of 490.62 g/mol. Its IUPAC name is 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID53325637
Molecular FormulaC29H30N8
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC Name7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)ncnn34)C2)CC1
InChIInChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32)
InChIKeyCAXBBGZEJPMNQW-UHFFFAOYSA-N
XLogP4.08
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 53325637) is 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)ncnn34)C2)CC1.
What is the InChIKey of 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is CAXBBGZEJPMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8/c1-35-11-13-36(14-12-35)23-15-22(16-23)29-34-26(27-28(30)31-18-32-37(27)29)21-8-7-20-9-10-24(33-25(20)17-21)19-5-3-2-4-6-19/h2-10,17-18,22-23H,11-16H2,1H3,(H2,30,31,32).
What are the key properties of 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 490.62 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-methylpiperazin-1-yl)cyclobutyl]-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 53325637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).