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

C23H23N5O3 — CID 69017746

IUPAC3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ncnc(N)c12
InChIInChI=1S/C23H23N5O3/c1-23(29)11-14(12-23)22-27-19(20-21(24)25-13-26-28(20)22)17-9-8-16(10-18(17)30-2)31-15-6-4-3-5-7-15/h3-10,13-14,29H,11-12H2,1-2H3,(H2,24,25,26)
InChIKeyFAMXJXITYRDENH-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.80
Rot. Bonds5

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

3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol (PubChem CID 69017746) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
PubChem CID69017746
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
SMILESCOc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ncnc(N)c12
InChIInChI=1S/C23H23N5O3/c1-23(29)11-14(12-23)22-27-19(20-21(24)25-13-26-28(20)22)17-9-8-16(10-18(17)30-2)31-15-6-4-3-5-7-15/h3-10,13-14,29H,11-12H2,1-2H3,(H2,24,25,26)
InChIKeyFAMXJXITYRDENH-UHFFFAOYSA-N
XLogP3.80
TPSA107.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[8-Amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44539192
3-Cyclobutyl-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960806
3-[8-Amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 57960901
3-Cyclobutyl-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57961010
12-(4-methoxyphenyl)-2-(pyridin-2-yl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
CID 3830622
[3-(2,4-Dimethoxy-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
CID 44307737
3-(2,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662582
3-[8-Amino-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44538698
trans-{4-[4-Amino-5-(4-phenoxy-phenyl)-imidazo[5,1-f][1,2,4]triazin-7-yl]-cyclohexyl}-methanol
CID 44539195
trans-7-(4-Dimethylaminomethyl-cyclohexyl)-5-(4-phenoxy-phenyl)-imidazo[5,1-f][1,2,4]triazin-4-ylamine
CID 44539196
7-Cyclobutyl-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-4-amine
CID 44539287
3-[4-Amino-5-(4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol
CID 44539290

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol (CID 69017746) is 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)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-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol is COc1cc(Oc2ccccc2)ccc1-c1nc(C2CC(C)(O)C2)n2ncnc(N)c12.
What is the InChIKey of 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
The InChIKey is FAMXJXITYRDENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-23(29)11-14(12-23)22-27-19(20-21(24)25-13-26-28(20)22)17-9-8-16(10-18(17)30-2)31-15-6-4-3-5-7-15/h3-10,13-14,29H,11-12H2,1-2H3,(H2,24,25,26).
What are the key properties of 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol?
3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol has a molecular weight of 417.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(2-methoxy-4-phenoxyphenyl)imidazo[5,1-f][1,2,4]triazin-7-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 69017746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).