2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid

C18H16F3N5O3 — CID 162190554

IUPAC2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
SMILESC.N#Cc1c(-c2cnc[nH]2)cc(-c2cccc(O)c2)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C15H11N5O.C2HF3O2.CH4/c16-6-12-11(14-7-18-8-19-14)5-13(20-15(12)17)9-2-1-3-10(21)4-9;3-2(4,5)1(6)7;/h1-5,7-8,21H,(H2,17,20)(H,18,19);(H,6,7);1H4
InChIKeyLUAHZOLLEWWZIX-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.57
Rot. Bonds2

About 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid

2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid (PubChem CID 162190554) has the molecular formula C18H16F3N5O3 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
PubChem CID162190554
Molecular FormulaC18H16F3N5O3
Molecular Weight407.35 g/mol
Exact Mass407.12
IUPAC Name2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid
SMILESC.N#Cc1c(-c2cnc[nH]2)cc(-c2cccc(O)c2)nc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C15H11N5O.C2HF3O2.CH4/c16-6-12-11(14-7-18-8-19-14)5-13(20-15(12)17)9-2-1-3-10(21)4-9;3-2(4,5)1(6)7;/h1-5,7-8,21H,(H2,17,20)(H,18,19);(H,6,7);1H4
InChIKeyLUAHZOLLEWWZIX-UHFFFAOYSA-N
XLogP3.57
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(3-hydroxyphenyl)-6-(2,4,5-trifluorophenyl)pyridine-3-carbonitrile
CID 56876036
2-amino-4-(1H-imidazol-5-yl)-6-(5-methyl-2-pyridinyl)pyridine-3-carbonitrile;formic acid
CID 171338599
3-[6-amino-5-cyano-4-(2-methoxypyrimidin-5-yl)-2-pyridinyl]benzoic acid
CID 56866692
2-amino-4-(furan-2-yl)-6-(8-hydroxynaphthalen-1-yl)pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 159001255
3-[6-amino-5-cyano-4-(4-methylsulfonylphenyl)-2-pyridinyl]benzoic acid
CID 56875045
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-2-piperazin-1-ylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 162332036
2-amino-4-(3-hydroxyphenyl)-6-[1-(4-methoxyphenyl)pyrazol-4-yl]pyridine-3-carbonitrile
CID 56879979
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-(4-methylpiperazin-1-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 159916888
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid (CID 162190554) is 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid is C.N#Cc1c(-c2cnc[nH]2)cc(-c2cccc(O)c2)nc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
The InChIKey is LUAHZOLLEWWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O.C2HF3O2.CH4/c16-6-12-11(14-7-18-8-19-14)5-13(20-15(12)17)9-2-1-3-10(21)4-9;3-2(4,5)1(6)7;/h1-5,7-8,21H,(H2,17,20)(H,18,19);(H,6,7);1H4.
What are the key properties of 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid?
2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid has a molecular weight of 407.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)pyridine-3-carbonitrile;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162190554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).