1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

C24H22FN5O2 — CID 70356207

IUPAC1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22FN5O2/c1-24(23(31)32)8-10-30(11-9-24)21-7-3-15(13-27-21)18-5-2-16(14-26-18)22-28-19-6-4-17(25)12-20(19)29-22/h2-7,12-14H,8-11H2,1H3,(H,28,29)(H,31,32)
InChIKeyLPEATODQCAFMNU-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.52
Rot. Bonds4

About 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 70356207) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID70356207
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22FN5O2/c1-24(23(31)32)8-10-30(11-9-24)21-7-3-15(13-27-21)18-5-2-16(14-26-18)22-28-19-6-4-17(25)12-20(19)29-22/h2-7,12-14H,8-11H2,1H3,(H,28,29)(H,31,32)
InChIKeyLPEATODQCAFMNU-UHFFFAOYSA-N
XLogP4.52
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (CID 70356207) is 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(c2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is LPEATODQCAFMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-24(23(31)32)8-10-30(11-9-24)21-7-3-15(13-27-21)18-5-2-16(14-26-18)22-28-19-6-4-17(25)12-20(19)29-22/h2-7,12-14H,8-11H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 431.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70356207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).