3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol

C20H16FN5O — CID 118034580

IUPAC3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
SMILESNc1ncnn2c(C3Cc4ccccc4C3)nc(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-15-7-13(8-16(27)9-15)17-18-19(22)23-10-24-26(18)20(25-17)14-5-11-3-1-2-4-12(11)6-14/h1-4,7-10,14,27H,5-6H2,(H2,22,23,24)
InChIKeyZETAXDWOLVNQID-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.10
Rot. Bonds2

About 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol

3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol (PubChem CID 118034580) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
PubChem CID118034580
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol
SMILESNc1ncnn2c(C3Cc4ccccc4C3)nc(-c3cc(O)cc(F)c3)c12
InChIInChI=1S/C20H16FN5O/c21-15-7-13(8-16(27)9-15)17-18-19(22)23-10-24-26(18)20(25-17)14-5-11-3-1-2-4-12(11)6-14/h1-4,7-10,14,27H,5-6H2,(H2,22,23,24)
InChIKeyZETAXDWOLVNQID-UHFFFAOYSA-N
XLogP3.10
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol with MolForge

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Related Compounds

3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905302
5-(4-amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905315
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol
CID 24905280
3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol
CID 24905342
3-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 44530402
3-[4-amino-1-(2,3-dihydro-1H-inden-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025552
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 118025676
3-[4-Amino-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025680
3-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118025760
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-difluorophenol
CID 118025928

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The IUPAC name of 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol (CID 118034580) is 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol.
What is the SMILES notation for 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The canonical SMILES for 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol is Nc1ncnn2c(C3Cc4ccccc4C3)nc(-c3cc(O)cc(F)c3)c12.
What is the InChIKey of 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
The InChIKey is ZETAXDWOLVNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-15-7-13(8-16(27)9-15)17-18-19(22)23-10-24-26(18)20(25-17)14-5-11-3-1-2-4-12(11)6-14/h1-4,7-10,14,27H,5-6H2,(H2,22,23,24).
What are the key properties of 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol?
3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol has a molecular weight of 361.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(2,3-dihydro-1H-inden-2-yl)imidazo[5,1-f][1,2,4]triazin-5-yl]-5-fluorophenol is sourced from PubChem (CID 118034580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).