4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

C23H23F3N4O3 — CID 118030547

IUPAC4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C23H23F3N4O3/c1-14-2-3-16(22(31)32)10-18(14)33-13-15-6-8-30(9-7-15)20-5-4-17(11-27-20)21-28-12-19(29-21)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,29)(H,31,32)
InChIKeyTVMPFJCTBQNSQZ-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.79
Rot. Bonds6

About 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid

4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (PubChem CID 118030547) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
PubChem CID118030547
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C23H23F3N4O3/c1-14-2-3-16(22(31)32)10-18(14)33-13-15-6-8-30(9-7-15)20-5-4-17(11-27-20)21-28-12-19(29-21)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,29)(H,31,32)
InChIKeyTVMPFJCTBQNSQZ-UHFFFAOYSA-N
XLogP4.79
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid with MolForge

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Related Compounds

2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 118134630
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
benzyl 4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 118030495
N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526655
N-[2-[(1-acetylpiperidin-4-yl)methoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(3-methylphenyl)prop-2-ynamide
CID 178075400
N-[2-[(1-acetylpiperidin-4-yl)methoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(3-cyanophenyl)prop-2-ynamide
CID 178075426
3-(3-fluorophenyl)-N-[2-[(1-methylpiperidin-4-yl)methoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075349
2-[4-(cyclobutylmethoxy)-3-nitrophenyl]-5-(trifluoromethyl)-1H-imidazole
CID 178075470
carbon dioxide;2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 176547263
2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The IUPAC name of 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid (CID 118030547) is 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The canonical SMILES for 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is Cc1ccc(C(=O)O)cc1OCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.
What is the InChIKey of 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
The InChIKey is TVMPFJCTBQNSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-14-2-3-16(22(31)32)10-18(14)33-13-15-6-8-30(9-7-15)20-5-4-17(11-27-20)21-28-12-19(29-21)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid?
4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid has a molecular weight of 460.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 118030547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).