ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate

C38H29FN4O2 — CID 91072653

IUPACethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2c(F)nc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1
InChIInChI=1S/C38H29FN4O2/c1-2-45-37(44)28-20-18-27(19-21-28)35-36(39)41-34-23-22-29(25-42(34)35)30-24-40-43(26-30)38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-26H,2H2,1H3
InChIKeyOSGQYQQVUXSUFL-UHFFFAOYSA-N
MW592.67 g/mol
LogP8.02
Rot. Bonds8

About ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate

ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate (PubChem CID 91072653) has the molecular formula C38H29FN4O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate
PubChem CID91072653
Molecular FormulaC38H29FN4O2
Molecular Weight592.67 g/mol
Exact Mass592.23
IUPAC Nameethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2c(F)nc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1
InChIInChI=1S/C38H29FN4O2/c1-2-45-37(44)28-20-18-27(19-21-28)35-36(39)41-34-23-22-29(25-42(34)35)30-24-40-43(26-30)38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-26H,2H2,1H3
InChIKeyOSGQYQQVUXSUFL-UHFFFAOYSA-N
XLogP8.02
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate?
The IUPAC name of ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate (CID 91072653) is ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate.
What is the SMILES notation for ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate?
The canonical SMILES for ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate is CCOC(=O)c1ccc(-c2c(F)nc3ccc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)cn23)cc1.
What is the InChIKey of ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate?
The InChIKey is OSGQYQQVUXSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29FN4O2/c1-2-45-37(44)28-20-18-27(19-21-28)35-36(39)41-34-23-22-29(25-42(34)35)30-24-40-43(26-30)38(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-26H,2H2,1H3.
What are the key properties of ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate?
ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate has a molecular weight of 592.67 g/mol, XLogP of 8.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-fluoro-6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzoate is sourced from PubChem (CID 91072653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).