3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride

C25H22ClFN6O — CID 53323863

IUPAC3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1.Cl
InChIInChI=1S/C25H21FN6O.ClH/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14;/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29);1H
InChIKeyANUGIRUJKWYSKB-UHFFFAOYSA-N
MW476.94 g/mol
LogP4.78
Rot. Bonds3

About 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride

3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride (PubChem CID 53323863) has the molecular formula C25H22ClFN6O and a molecular weight of 476.94 g/mol. Its IUPAC name is 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride
PubChem CID53323863
Molecular FormulaC25H22ClFN6O
Molecular Weight476.94 g/mol
Exact Mass476.15
IUPAC Name3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride
SMILESCC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1.Cl
InChIInChI=1S/C25H21FN6O.ClH/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14;/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29);1H
InChIKeyANUGIRUJKWYSKB-UHFFFAOYSA-N
XLogP4.78
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Osi-906
CID 11640390
7-Cyclobutyl-5-(2-phenyl-quinolin-7-yl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine
CID 11502053
Cyclobutanol, 3-[4-amino-5-(8-fluoro-2-phenyl-7-quinolinyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methyl-, cis-
CID 53319267
3-[4-Amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
CID 53321197
7-(2,8-Dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluorocinnoline
CID 146585458
6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 91799433
6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 91799502
US11312719, Example 112
CID 153600704
5-(8-Fluoro-2-phenylquinolin-7-yl)-7-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-4-amine
CID 11649146
1-isopropyl-3-(2-methylquinolin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905219
4-[3-[4-Amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclobutyl]piperazine-1-carbaldehyde
CID 53319892
4-[3-[4-Amino-5-(2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclobutyl]piperazine-1-carbaldehyde
CID 53321198

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride?
The IUPAC name of 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride (CID 53323863) is 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride?
The canonical SMILES for 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride is CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1.Cl.
What is the InChIKey of 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride?
The InChIKey is ANUGIRUJKWYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O.ClH/c1-25(33)11-16(12-25)24-31-21(22-23(27)28-13-29-32(22)24)17-9-7-15-8-10-18(30-20(15)19(17)26)14-5-3-2-4-6-14;/h2-10,13,16,33H,11-12H2,1H3,(H2,27,28,29);1H.
What are the key properties of 3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride?
3-[4-amino-5-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride has a molecular weight of 476.94 g/mol, XLogP of 4.78, 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-(8-fluoro-2-phenylquinolin-7-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol;hydrochloride is sourced from PubChem (CID 53323863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).