methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate

C36H27N5O2 — CID 22031097

IUPACmethyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1
InChIInChI=1S/C36H27N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-25H,1H3
InChIKeyKJSZGZYSXHDODD-UHFFFAOYSA-N
MW561.65 g/mol
LogP6.89
Rot. Bonds7

About methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate

methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate (PubChem CID 22031097) has the molecular formula C36H27N5O2 and a molecular weight of 561.65 g/mol. Its IUPAC name is methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
PubChem CID22031097
Molecular FormulaC36H27N5O2
Molecular Weight561.65 g/mol
Exact Mass561.22
IUPAC Namemethyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1
InChIInChI=1S/C36H27N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-25H,1H3
InChIKeyKJSZGZYSXHDODD-UHFFFAOYSA-N
XLogP6.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-4-carboxylate
CID 118710525
ethyl 5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylate
CID 118710527
methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54771763
Methyl 9-(3-purin-7-ylpropyl)-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 57397331
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596883
methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridine-3-carboxylate
CID 15187689
methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
CID 15187690
methyl 5-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyridine-3-carboxylate
CID 15187692
methyl 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-4,6-dimethylpyridine-3-carboxylate
CID 44330492
methyl 6-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-1-oxidopyridin-1-ium-3-carboxylate
CID 44331056
Methyl 2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299415

Frequently Asked Questions

What is the IUPAC name of methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate (CID 22031097) is methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2cnc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)nc1.
What is the InChIKey of methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
The InChIKey is KJSZGZYSXHDODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5O2/c1-43-35(42)26-17-19-32(37-21-26)33-23-38-34-20-18-27(24-40(33)34)28-22-39-41(25-28)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-25H,1H3.
What are the key properties of methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate?
methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate has a molecular weight of 561.65 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 22031097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).