3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine

C21H16F3N5O — CID 66591071

IUPAC3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2-c2ccccn2)cnc1N
InChIInChI=1S/C21H16F3N5O/c1-30-16-10-13(11-27-19(16)25)17-18(15-4-2-3-9-26-15)29-20(28-17)12-5-7-14(8-6-12)21(22,23)24/h2-11H,1H3,(H2,25,27)(H,28,29)
InChIKeyBCCWHJHRMQNERA-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.81
Rot. Bonds4

About 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine

3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine (PubChem CID 66591071) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
PubChem CID66591071
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2-c2ccccn2)cnc1N
InChIInChI=1S/C21H16F3N5O/c1-30-16-10-13(11-27-19(16)25)17-18(15-4-2-3-9-26-15)29-20(28-17)12-5-7-14(8-6-12)21(22,23)24/h2-11H,1H3,(H2,25,27)(H,28,29)
InChIKeyBCCWHJHRMQNERA-UHFFFAOYSA-N
XLogP4.81
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine 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

5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
CID 143864629
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
5-[2-(1H-indazol-5-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137327
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
CID 143864617
5-methoxy-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 22118823
2-[2-(4-chlorophenyl)-4-pyridin-2-yl-1H-imidazol-5-yl]pyridine
CID 11099647
2-amino-5-[2-(3-fluoro-4-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]pyridin-3-ol
CID 143864771
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine (CID 66591071) is 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine is COc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2-c2ccccn2)cnc1N.
What is the InChIKey of 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine?
The InChIKey is BCCWHJHRMQNERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-30-16-10-13(11-27-19(16)25)17-18(15-4-2-3-9-26-15)29-20(28-17)12-5-7-14(8-6-12)21(22,23)24/h2-11H,1H3,(H2,25,27)(H,28,29).
What are the key properties of 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine?
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine has a molecular weight of 411.39 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 66591071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).