N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine

C18H13F3N6 — CID 170147503

IUPACN-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine
SMILESC/N=C/c1n[nH]nc1-c1ccn2cc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C18H13F3N6/c1-22-9-14-17(25-26-24-14)12-6-7-27-10-15(23-16(27)8-12)11-2-4-13(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,25,26)/b22-9+
InChIKeyJJXNPKIKPBDGTE-LSFURLLWSA-N
MW370.34 g/mol
LogP3.85
Rot. Bonds3

About N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine

N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine (PubChem CID 170147503) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine
PubChem CID170147503
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC NameN-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine
SMILESC/N=C/c1n[nH]nc1-c1ccn2cc(-c3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C18H13F3N6/c1-22-9-14-17(25-26-24-14)12-6-7-27-10-15(23-16(27)8-12)11-2-4-13(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,25,26)/b22-9+
InChIKeyJJXNPKIKPBDGTE-LSFURLLWSA-N
XLogP3.85
TPSA71.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
1-[5-(4-chloro-3-fluorophenyl)-2H-triazol-4-yl]-N-methylmethanimine
CID 146557487
2-(4-tert-butylphenyl)-7-methylimidazo[1,2-a]pyridine
CID 4837144
methyl 4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 45158622
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-ol
CID 117130812
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
N-methyl-1-[5-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]-2H-triazol-4-yl]methanimine
CID 170147492
8-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 70111525
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 122322767
2-(4-bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 67122886
N-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]ethanamine
CID 82064459
2-methyl-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 164581246

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine?
The IUPAC name of N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine (CID 170147503) is N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine.
What is the SMILES notation for N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine?
The canonical SMILES for N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine is C/N=C/c1n[nH]nc1-c1ccn2cc(-c3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine?
The InChIKey is JJXNPKIKPBDGTE-LSFURLLWSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-22-9-14-17(25-26-24-14)12-6-7-27-10-15(23-16(27)8-12)11-2-4-13(5-3-11)18(19,20)21/h2-10H,1H3,(H,24,25,26)/b22-9+.
What are the key properties of N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine?
N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine has a molecular weight of 370.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2H-triazol-4-yl]methanimine is sourced from PubChem (CID 170147503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).