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

C40H28F2N6O — CID 23537672

IUPAC2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1
InChIInChI=1S/C40H28F2N6O/c41-31-19-20-32(34(42)22-31)37-33(27-18-21-36-43-23-35(47(36)24-27)39-45-44-38(49-39)26-16-17-26)25-48(46-37)40(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-15,18-26H,16-17H2
InChIKeyYYWBJVCEZNFNAK-UHFFFAOYSA-N
MW646.70 g/mol
LogP8.91
Rot. Bonds8

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

2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole (PubChem CID 23537672) has the molecular formula C40H28F2N6O and a molecular weight of 646.70 g/mol. Its IUPAC name is 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
PubChem CID23537672
Molecular FormulaC40H28F2N6O
Molecular Weight646.70 g/mol
Exact Mass646.23
IUPAC Name2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1
InChIInChI=1S/C40H28F2N6O/c41-31-19-20-32(34(42)22-31)37-33(27-18-21-36-43-23-35(47(36)24-27)39-45-44-38(49-39)26-16-17-26)25-48(46-37)40(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-15,18-26H,16-17H2
InChIKeyYYWBJVCEZNFNAK-UHFFFAOYSA-N
XLogP8.91
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.70
LogP ≤ 58.91
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 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole (CID 23537672) is 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nnc(C5CC5)o4)n3c2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
The InChIKey is YYWBJVCEZNFNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28F2N6O/c41-31-19-20-32(34(42)22-31)37-33(27-18-21-36-43-23-35(47(36)24-27)39-45-44-38(49-39)26-16-17-26)25-48(46-37)40(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-15,18-26H,16-17H2.
What are the key properties of 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole has a molecular weight of 646.70 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 23537672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).