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

C21H19F3N6 — CID 118971719

IUPAC2-[1-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2,3-dihydro-1H-triazol-4-yl]pyridine
SMILESFC(F)(F)C1=C(c2ccnc(-c3cn(C[C@H]4CCc5ccccc54)cn3)c2)NNN1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)20-19(27-29-28-20)14-7-8-25-17(9-14)18-11-30(12-26-18)10-15-6-5-13-3-1-2-4-16(13)15/h1-4,7-9,11-12,15,27-29H,5-6,10H2/t15-/m1/s1
InChIKeyYOHFZUNABSASNU-OAHLLOKOSA-N
MW412.42 g/mol
LogP3.52
Rot. Bonds4

About 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

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 (PubChem CID 118971719) has the molecular formula C21H19F3N6 and a molecular weight of 412.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[1-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2,3-dihydro-1H-triazol-4-yl]pyridine
PubChem CID118971719
Molecular FormulaC21H19F3N6
Molecular Weight412.42 g/mol
Exact Mass412.16
IUPAC Name2-[1-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2,3-dihydro-1H-triazol-4-yl]pyridine
SMILESFC(F)(F)C1=C(c2ccnc(-c3cn(C[C@H]4CCc5ccccc54)cn3)c2)NNN1
InChIInChI=1S/C21H19F3N6/c22-21(23,24)20-19(27-29-28-20)14-7-8-25-17(9-14)18-11-30(12-26-18)10-15-6-5-13-3-1-2-4-16(13)15/h1-4,7-9,11-12,15,27-29H,5-6,10H2/t15-/m1/s1
InChIKeyYOHFZUNABSASNU-OAHLLOKOSA-N
XLogP3.52
TPSA66.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[1-[[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288400
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
[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
CID 90407889
(Z)-1-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]ethene-1,2-diamine
CID 170196510
2-[1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290314
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-[[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290276
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-[[(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-[[(3S)-7-cyclopropyl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290341
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C1=C(c2ccnc(-c3cn(C[C@H]4CCc5ccccc54)cn3)c2)NNN1.
What is the InChIKey of 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?
The InChIKey is YOHFZUNABSASNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19F3N6/c22-21(23,24)20-19(27-29-28-20)14-7-8-25-17(9-14)18-11-30(12-26-18)10-15-6-5-13-3-1-2-4-16(13)15/h1-4,7-9,11-12,15,27-29H,5-6,10H2/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 412.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118971719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).