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

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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).