6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid

C24H20F3N5O3 — CID 71110369

IUPAC6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)nc1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)16-3-4-18-19(11-16)31-22(30-18)14-1-5-20(28-12-14)32-9-7-17(8-10-32)35-21-6-2-15(13-29-21)23(33)34/h1-6,11-13,17H,7-10H2,(H,30,31)(H,33,34)
InChIKeyWYYKLLPIQNONPS-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.78
Rot. Bonds5

About 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid

6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid (PubChem CID 71110369) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid
PubChem CID71110369
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)nc1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)16-3-4-18-19(11-16)31-22(30-18)14-1-5-20(28-12-14)32-9-7-17(8-10-32)35-21-6-2-15(13-29-21)23(33)34/h1-6,11-13,17H,7-10H2,(H,30,31)(H,33,34)
InChIKeyWYYKLLPIQNONPS-UHFFFAOYSA-N
XLogP4.78
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid 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

methane;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 162124039
2-[(3aS,6aR)-5-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]acetic acid
CID 71110174
1-propyl-4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
CID 123864303
methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate
CID 71110530
4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
CID 123818187
2-[8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
CID 56603118
1-[[1-[5-[6-(1,1-difluorobut-2-enyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]cyclopropane-1-carboxylic acid
CID 123315338
3-[1-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 71110433
2-(2,5-dimethylphenyl)-2-hydroxy-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 56960485
8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56602927
1-[5-[4-[6-[difluoro(iodo)methyl]-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 162590647
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796

Frequently Asked Questions

What is the IUPAC name of 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid (CID 71110369) is 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid is O=C(O)c1ccc(OC2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)nc1.
What is the InChIKey of 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid?
The InChIKey is WYYKLLPIQNONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c25-24(26,27)16-3-4-18-19(11-16)31-22(30-18)14-1-5-20(28-12-14)32-9-7-17(8-10-32)35-21-6-2-15(13-29-21)23(33)34/h1-6,11-13,17H,7-10H2,(H,30,31)(H,33,34).
What are the key properties of 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid?
6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid has a molecular weight of 483.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 71110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).