7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine

C25H19F2N5O — CID 68869231

IUPAC7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4cccc(-c5ccccc5F)c4F)n3n2)cc1
InChIInChI=1S/C25H19F2N5O/c1-15-22-14-28-25(30-16-10-12-17(33-2)13-11-16)31-32(22)24(29-15)20-8-5-7-19(23(20)27)18-6-3-4-9-21(18)26/h3-14H,1-2H3,(H,30,31)
InChIKeyNGPGNHZMGZCGMJ-UHFFFAOYSA-N
MW443.46 g/mol
LogP5.80
Rot. Bonds5

About 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine

7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 68869231) has the molecular formula C25H19F2N5O and a molecular weight of 443.46 g/mol. Its IUPAC name is 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID68869231
Molecular FormulaC25H19F2N5O
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3c(C)nc(-c4cccc(-c5ccccc5F)c4F)n3n2)cc1
InChIInChI=1S/C25H19F2N5O/c1-15-22-14-28-25(30-16-10-12-17(33-2)13-11-16)31-32(22)24(29-15)20-8-5-7-19(23(20)27)18-6-3-4-9-21(18)26/h3-14H,1-2H3,(H,30,31)
InChIKeyNGPGNHZMGZCGMJ-UHFFFAOYSA-N
XLogP5.80
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302897
7-cyclohexyl-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11302158
formaldehyde;4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]benzaldehyde
CID 142948620
5-methyl-7-(2-nitrophenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11293491
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
7-(3-bromophenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11213555
5-methyl-7-(1-methylpyrrol-2-yl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11200247
7-[3-(1,1-difluoroethyl)phenyl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 142948633
N-(3-methoxyphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
CID 66711124
5-(3-fluorophenyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186452
(E)-3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
CID 58711931
3-[3-[5-methyl-2-(3,4,5-trimethoxyanilino)imidazo[5,1-f][1,2,4]triazin-7-yl]phenyl]prop-2-enamide
CID 68869190

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine (CID 68869231) is 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine is COc1ccc(Nc2ncc3c(C)nc(-c4cccc(-c5ccccc5F)c4F)n3n2)cc1.
What is the InChIKey of 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is NGPGNHZMGZCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O/c1-15-22-14-28-25(30-16-10-12-17(33-2)13-11-16)31-32(22)24(29-15)20-8-5-7-19(23(20)27)18-6-3-4-9-21(18)26/h3-14H,1-2H3,(H,30,31).
What are the key properties of 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine?
7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 443.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-3-(2-fluorophenyl)phenyl]-N-(4-methoxyphenyl)-5-methylimidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 68869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).