4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine

C23H23F3N6 — CID 166968719

IUPAC4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine
SMILESCC1(c2ccnc(-c3cn(C[C@H]4CCCc5ccccc54)cn3)c2)NN=NC1C(F)(F)F
InChIInChI=1S/C23H23F3N6/c1-22(21(23(24,25)26)29-31-30-22)17-9-10-27-19(11-17)20-13-32(14-28-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-3,5,8-11,13-14,16,21H,4,6-7,12H2,1H3,(H,29,30)/t16-,21?,22?/m1/s1
InChIKeyWJZXXUCNRLLPBO-NYYVNYEXSA-N
MW440.47 g/mol
LogP5.18
Rot. Bonds4

About 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine

4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine (PubChem CID 166968719) has the molecular formula C23H23F3N6 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine
PubChem CID166968719
Molecular FormulaC23H23F3N6
Molecular Weight440.47 g/mol
Exact Mass440.19
IUPAC Name4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine
SMILESCC1(c2ccnc(-c3cn(C[C@H]4CCCc5ccccc54)cn3)c2)NN=NC1C(F)(F)F
InChIInChI=1S/C23H23F3N6/c1-22(21(23(24,25)26)29-31-30-22)17-9-10-27-19(11-17)20-13-32(14-28-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-3,5,8-11,13-14,16,21H,4,6-7,12H2,1H3,(H,29,30)/t16-,21?,22?/m1/s1
InChIKeyWJZXXUCNRLLPBO-NYYVNYEXSA-N
XLogP5.18
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
CID 170196510
2-[1-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2,3-dihydro-1H-triazol-4-yl]pyridine
CID 118971719
[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
CID 90407889
2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288343
2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971648
2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288329
2-[1-[(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460642
2-[1-[[(1S)-5-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288341
2-[1-[[(1S)-5-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971867
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79104229
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-2-yl]methanamine
CID 63771609
6,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2,5-dione
CID 64879136

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine (CID 166968719) is 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine is CC1(c2ccnc(-c3cn(C[C@H]4CCCc5ccccc54)cn3)c2)NN=NC1C(F)(F)F.
What is the InChIKey of 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine?
The InChIKey is WJZXXUCNRLLPBO-NYYVNYEXSA-N. The full InChI is InChI=1S/C23H23F3N6/c1-22(21(23(24,25)26)29-31-30-22)17-9-10-27-19(11-17)20-13-32(14-28-20)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-3,5,8-11,13-14,16,21H,4,6-7,12H2,1H3,(H,29,30)/t16-,21?,22?/m1/s1.
What are the key properties of 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine?
4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine has a molecular weight of 440.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(trifluoromethyl)-1,4-dihydrotriazol-5-yl]-2-[1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 166968719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).