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

C26H21N5O2 — CID 129315554

IUPACmethyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1
InChIInChI=1S/C26H21N5O2/c1-33-26(32)22-10-6-5-9-20(22)16-31-17-21(14-29-31)19-11-12-27-23(13-19)25-28-15-24(30-25)18-7-3-2-4-8-18/h2-15,17H,16H2,1H3,(H,28,30)
InChIKeyGTGOMMPJSZNPAO-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.84
Rot. Bonds6

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

methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate (PubChem CID 129315554) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate
PubChem CID129315554
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Namemethyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1
InChIInChI=1S/C26H21N5O2/c1-33-26(32)22-10-6-5-9-20(22)16-31-17-21(14-29-31)19-11-12-27-23(13-19)25-28-15-24(30-25)18-7-3-2-4-8-18/h2-15,17H,16H2,1H3,(H,28,30)
InChIKeyGTGOMMPJSZNPAO-UHFFFAOYSA-N
XLogP4.84
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate (CID 129315554) is methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1.
What is the InChIKey of methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate?
The InChIKey is GTGOMMPJSZNPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-33-26(32)22-10-6-5-9-20(22)16-31-17-21(14-29-31)19-11-12-27-23(13-19)25-28-15-24(30-25)18-7-3-2-4-8-18/h2-15,17H,16H2,1H3,(H,28,30).
What are the key properties of methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate?
methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate has a molecular weight of 435.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]methyl]benzoate is sourced from PubChem (CID 129315554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).