3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole

C46H33FN6O — CID 22031664

IUPAC3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(C5CC5c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C46H33FN6O/c47-37-24-21-32(22-25-37)43-40(30-53(50-43)46(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-26-42-48-28-41(52(42)29-33)44-49-45(54-51-44)39-27-38(39)31-13-5-1-6-14-31/h1-26,28-30,38-39H,27H2
InChIKeyJEVYFRQITXNWDU-UHFFFAOYSA-N
MW704.81 g/mol
LogP10.17
Rot. Bonds9

About 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole

3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 22031664) has the molecular formula C46H33FN6O and a molecular weight of 704.81 g/mol. Its IUPAC name is 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID22031664
Molecular FormulaC46H33FN6O
Molecular Weight704.81 g/mol
Exact Mass704.27
IUPAC Name3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(C5CC5c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C46H33FN6O/c47-37-24-21-32(22-25-37)43-40(30-53(50-43)46(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-26-42-48-28-41(52(42)29-33)44-49-45(54-51-44)39-27-38(39)31-13-5-1-6-14-31/h1-26,28-30,38-39H,27H2
InChIKeyJEVYFRQITXNWDU-UHFFFAOYSA-N
XLogP10.17
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.81
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole 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 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole (CID 22031664) is 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(C5CC5c5ccccc5)n4)n3c2)cc1.
What is the InChIKey of 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is JEVYFRQITXNWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33FN6O/c47-37-24-21-32(22-25-37)43-40(30-53(50-43)46(34-15-7-2-8-16-34,35-17-9-3-10-18-35)36-19-11-4-12-20-36)33-23-26-42-48-28-41(52(42)29-33)44-49-45(54-51-44)39-27-38(39)31-13-5-1-6-14-31/h1-26,28-30,38-39H,27H2.
What are the key properties of 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole?
3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 704.81 g/mol, XLogP of 10.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 22031664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).