formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine

C22H23N5O3 — CID 155940294

IUPACformic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
SMILESCn1cc(CCn2ccnc2-c2cccc(OCc3ccccn3)c2)cn1.O=CO
InChIInChI=1S/C21H21N5O.CH2O2/c1-25-15-17(14-24-25)8-11-26-12-10-23-21(26)18-5-4-7-20(13-18)27-16-19-6-2-3-9-22-19;2-1-3/h2-7,9-10,12-15H,8,11,16H2,1H3;1H,(H,2,3)
InChIKeyURYZJYRGKAUXHB-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.20
Rot. Bonds7

About formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine

formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine (PubChem CID 155940294) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Nameformic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
PubChem CID155940294
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Nameformic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
SMILESCn1cc(CCn2ccnc2-c2cccc(OCc3ccccn3)c2)cn1.O=CO
InChIInChI=1S/C21H21N5O.CH2O2/c1-25-15-17(14-24-25)8-11-26-12-10-23-21(26)18-5-4-7-20(13-18)27-16-19-6-2-3-9-22-19;2-1-3/h2-7,9-10,12-15H,8,11,16H2,1H3;1H,(H,2,3)
InChIKeyURYZJYRGKAUXHB-UHFFFAOYSA-N
XLogP3.20
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
CID 56746066
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
formic acid;3-methoxy-6-[2-methoxy-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]phenyl]pyridazine
CID 171708489
1-(1-methylpyrazol-4-yl)-5-pyridin-2-ylpentan-3-one
CID 103023920
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine?
The IUPAC name of formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine (CID 155940294) is formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine?
The canonical SMILES for formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine is Cn1cc(CCn2ccnc2-c2cccc(OCc3ccccn3)c2)cn1.O=CO.
What is the InChIKey of formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine?
The InChIKey is URYZJYRGKAUXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.CH2O2/c1-25-15-17(14-24-25)8-11-26-12-10-23-21(26)18-5-4-7-20(13-18)27-16-19-6-2-3-9-22-19;2-1-3/h2-7,9-10,12-15H,8,11,16H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine?
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine has a molecular weight of 405.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 155940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).