7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

C27H26N8 — CID 66677017

IUPAC7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3)c12
InChIInChI=1S/C27H26N8/c28-26-25-24(19-6-5-18-7-8-22(32-23(18)14-19)21-4-1-2-9-29-21)33-27(35(25)31-16-30-26)20-12-17(13-20)15-34-10-3-11-34/h1-2,4-9,14,16-17,20H,3,10-13,15H2,(H2,28,30,31)
InChIKeyQAQGBAFHSRKCEY-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.18
Rot. Bonds5

About 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine

7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 66677017) has the molecular formula C27H26N8 and a molecular weight of 462.56 g/mol. Its IUPAC name is 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
PubChem CID66677017
Molecular FormulaC27H26N8
Molecular Weight462.56 g/mol
Exact Mass462.23
IUPAC Name7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3)c12
InChIInChI=1S/C27H26N8/c28-26-25-24(19-6-5-18-7-8-22(32-23(18)14-19)21-4-1-2-9-29-21)33-27(35(25)31-16-30-26)20-12-17(13-20)15-34-10-3-11-34/h1-2,4-9,14,16-17,20H,3,10-13,15H2,(H2,28,30,31)
InChIKeyQAQGBAFHSRKCEY-UHFFFAOYSA-N
XLogP4.18
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine (CID 66677017) is 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CC(CN4CCC4)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3)c12.
What is the InChIKey of 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is QAQGBAFHSRKCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8/c28-26-25-24(19-6-5-18-7-8-22(32-23(18)14-19)21-4-1-2-9-29-21)33-27(35(25)31-16-30-26)20-12-17(13-20)15-34-10-3-11-34/h1-2,4-9,14,16-17,20H,3,10-13,15H2,(H2,28,30,31).
What are the key properties of 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine?
7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 462.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 66677017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).