5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole

C62H45F6N15O3 — CID 159344581

IUPAC5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cn12.CC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
InChIInChI=1S/2C21H15F2N5O.C20H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23;22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12;1-11(2)19-25-24-16-6-3-12(10-27(16)19)18-17(23-20-26(18)7-8-28-20)14-5-4-13(21)9-15(14)22/h2-5,8-11H,6-7H2,1H3;4-12H,1-3H2;3-11H,1-2H3
InChIKeyLGODNLMOAXWZLF-UHFFFAOYSA-N
MW1162.13 g/mol
LogP14.19
Rot. Bonds9

About 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole

5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 159344581) has the molecular formula C62H45F6N15O3 and a molecular weight of 1162.13 g/mol. Its IUPAC name is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID159344581
Molecular FormulaC62H45F6N15O3
Molecular Weight1162.13 g/mol
Exact Mass1161.37
IUPAC Name5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cn12.CC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
InChIInChI=1S/2C21H15F2N5O.C20H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23;22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12;1-11(2)19-25-24-16-6-3-12(10-27(16)19)18-17(23-20-26(18)7-8-28-20)14-5-4-13(21)9-15(14)22/h2-5,8-11H,6-7H2,1H3;4-12H,1-3H2;3-11H,1-2H3
InChIKeyLGODNLMOAXWZLF-UHFFFAOYSA-N
XLogP14.19
TPSA181.89 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.13
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole 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 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole (CID 159344581) is 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole is CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cn12.CC1(c2nnc3ccc(-c4c(-c5ccc(F)cc5F)nc5occn45)cn23)CC1.Fc1ccc(-c2nc3occn3c2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1.
What is the InChIKey of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is LGODNLMOAXWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15F2N5O.C20H15F2N5O/c1-21(6-7-21)19-26-25-16-5-2-12(11-28(16)19)18-17(24-20-27(18)8-9-29-20)14-4-3-13(22)10-15(14)23;22-14-5-6-15(16(23)10-14)18-19(27-8-9-29-21(27)24-18)13-4-7-17-25-26-20(28(17)11-13)12-2-1-3-12;1-11(2)19-25-24-16-6-3-12(10-27(16)19)18-17(23-20-26(18)7-8-28-20)14-5-4-13(21)9-15(14)22/h2-5,8-11H,6-7H2,1H3;4-12H,1-3H2;3-11H,1-2H3.
What are the key properties of 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole?
5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 1162.13 g/mol, XLogP of 14.19, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]imidazo[2,1-b][1,3]oxazole;6-(2,4-difluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 159344581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).