5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide

C27H27N7O — CID 141371825

IUPAC5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide
SMILESCCC(CCCC(N)=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)ncnn12
InChIInChI=1S/C27H27N7O/c1-2-17(9-6-10-23(28)35)27-33-24(25-26(29)30-16-31-34(25)27)20-12-11-19-13-14-21(32-22(19)15-20)18-7-4-3-5-8-18/h3-5,7-8,11-17H,2,6,9-10H2,1H3,(H2,28,35)(H2,29,30,31)
InChIKeyRBNWQIQIZASASN-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.74
Rot. Bonds8

About 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide

5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide (PubChem CID 141371825) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide.

Molecular Properties

Compound Name5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide
PubChem CID141371825
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide
SMILESCCC(CCCC(N)=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)ncnn12
InChIInChI=1S/C27H27N7O/c1-2-17(9-6-10-23(28)35)27-33-24(25-26(29)30-16-31-34(25)27)20-12-11-19-13-14-21(32-22(19)15-20)18-7-4-3-5-8-18/h3-5,7-8,11-17H,2,6,9-10H2,1H3,(H2,28,35)(H2,29,30,31)
InChIKeyRBNWQIQIZASASN-UHFFFAOYSA-N
XLogP4.74
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide?
The IUPAC name of 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide (CID 141371825) is 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide.
What is the SMILES notation for 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide?
The canonical SMILES for 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide is CCC(CCCC(N)=O)c1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)ncnn12.
What is the InChIKey of 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide?
The InChIKey is RBNWQIQIZASASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-2-17(9-6-10-23(28)35)27-33-24(25-26(29)30-16-31-34(25)27)20-12-11-19-13-14-21(32-22(19)15-20)18-7-4-3-5-8-18/h3-5,7-8,11-17H,2,6,9-10H2,1H3,(H2,28,35)(H2,29,30,31).
What are the key properties of 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide?
5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide has a molecular weight of 465.56 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]heptanamide is sourced from PubChem (CID 141371825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).