4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid

C25H19N5O2 — CID 129315799

IUPAC4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1
InChIInChI=1S/C25H19N5O2/c31-25(32)19-8-6-17(7-9-19)15-30-16-21(13-28-30)20-10-11-26-22(12-20)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29)(H,31,32)
InChIKeyDCGHVCFYPVKWQQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.75
Rot. Bonds6

About 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid

4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid (PubChem CID 129315799) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid
PubChem CID129315799
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC Name4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1
InChIInChI=1S/C25H19N5O2/c31-25(32)19-8-6-17(7-9-19)15-30-16-21(13-28-30)20-10-11-26-22(12-20)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29)(H,31,32)
InChIKeyDCGHVCFYPVKWQQ-UHFFFAOYSA-N
XLogP4.75
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10133915
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CID 11057468
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CID 14971711
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CID 24996719
CID 24996719

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid?
The IUPAC name of 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid (CID 129315799) is 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid is O=C(O)c1ccc(Cn2cc(-c3ccnc(-c4ncc(-c5ccccc5)[nH]4)c3)cn2)cc1.
What is the InChIKey of 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid?
The InChIKey is DCGHVCFYPVKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c31-25(32)19-8-6-17(7-9-19)15-30-16-21(13-28-30)20-10-11-26-22(12-20)24-27-14-23(29-24)18-4-2-1-3-5-18/h1-14,16H,15H2,(H,27,29)(H,31,32).
What are the key properties of 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid?
4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid has a molecular weight of 421.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 129315799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).