3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol

C25H22N6O — CID 53321197

IUPAC3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnn23)C1
InChIInChI=1S/C25H22N6O/c1-25(32)12-18(13-25)24-30-21(22-23(26)27-14-28-31(22)24)17-8-7-16-9-10-19(29-20(16)11-17)15-5-3-2-4-6-15/h2-11,14,18,32H,12-13H2,1H3,(H2,26,27,28)
InChIKeyFILMJNHPVCSZTN-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.22
Rot. Bonds3

About 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol

3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol (PubChem CID 53321197) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
PubChem CID53321197
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnn23)C1
InChIInChI=1S/C25H22N6O/c1-25(32)12-18(13-25)24-30-21(22-23(26)27-14-28-31(22)24)17-8-7-16-9-10-19(29-20(16)11-17)15-5-3-2-4-6-15/h2-11,14,18,32H,12-13H2,1H3,(H2,26,27,28)
InChIKeyFILMJNHPVCSZTN-UHFFFAOYSA-N
XLogP4.22
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol (CID 53321197) is 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnn23)C1.
What is the InChIKey of 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The InChIKey is FILMJNHPVCSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-25(32)12-18(13-25)24-30-21(22-23(26)27-14-28-31(22)24)17-8-7-16-9-10-19(29-20(16)11-17)15-5-3-2-4-6-15/h2-11,14,18,32H,12-13H2,1H3,(H2,26,27,28).
What are the key properties of 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol has a molecular weight of 422.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 53321197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).