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

C43H29FN6O — CID 22032193

IUPAC3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C43H29FN6O/c44-36-24-21-30(22-25-36)40-37(32-23-26-39-45-27-38(49(39)28-32)41-46-42(51-48-41)31-13-5-1-6-14-31)29-50(47-40)43(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-29H
InChIKeyHPOLKVCJZDQFTG-UHFFFAOYSA-N
MW664.74 g/mol
LogP9.56
Rot. Bonds8

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

3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 22032193) has the molecular formula C43H29FN6O and a molecular weight of 664.74 g/mol. Its IUPAC name is 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID22032193
Molecular FormulaC43H29FN6O
Molecular Weight664.74 g/mol
Exact Mass664.24
IUPAC Name3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1
InChIInChI=1S/C43H29FN6O/c44-36-24-21-30(22-25-36)40-37(32-23-26-39-45-27-38(49(39)28-32)41-46-42(51-48-41)31-13-5-1-6-14-31)29-50(47-40)43(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-29H
InChIKeyHPOLKVCJZDQFTG-UHFFFAOYSA-N
XLogP9.56
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.74
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-phenyl-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-phenyl-1,2,4-oxadiazole (CID 22032193) is 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-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-phenyl-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-phenyl-1,2,4-oxadiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4noc(-c5ccccc5)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-phenyl-1,2,4-oxadiazole?
The InChIKey is HPOLKVCJZDQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29FN6O/c44-36-24-21-30(22-25-36)40-37(32-23-26-39-45-27-38(49(39)28-32)41-46-42(51-48-41)31-13-5-1-6-14-31)29-50(47-40)43(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-29H.
What are the key properties of 3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?
3-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 664.74 g/mol, XLogP of 9.56, 8 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-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 22032193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).