3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

C21H16F2N6O — CID 156838950

IUPAC3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1c(-c2nc3ccn(Cc4cc(-c5cc(F)ccc5F)no4)cc-3n2)cnn1C
InChIInChI=1S/C21H16F2N6O/c1-12-16(9-24-28(12)2)21-25-18-5-6-29(11-20(18)26-21)10-14-8-19(27-30-14)15-7-13(22)3-4-17(15)23/h3-9,11H,10H2,1-2H3
InChIKeySMUNHXHRJNIVHK-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.07
Rot. Bonds4

About 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole

3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (PubChem CID 156838950) has the molecular formula C21H16F2N6O and a molecular weight of 406.40 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
PubChem CID156838950
Molecular FormulaC21H16F2N6O
Molecular Weight406.40 g/mol
Exact Mass406.14
IUPAC Name3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole
SMILESCc1c(-c2nc3ccn(Cc4cc(-c5cc(F)ccc5F)no4)cc-3n2)cnn1C
InChIInChI=1S/C21H16F2N6O/c1-12-16(9-24-28(12)2)21-25-18-5-6-29(11-20(18)26-21)10-14-8-19(27-30-14)15-7-13(22)3-4-17(15)23/h3-9,11H,10H2,1-2H3
InChIKeySMUNHXHRJNIVHK-UHFFFAOYSA-N
XLogP4.07
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole (CID 156838950) is 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is Cc1c(-c2nc3ccn(Cc4cc(-c5cc(F)ccc5F)no4)cc-3n2)cnn1C.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
The InChIKey is SMUNHXHRJNIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O/c1-12-16(9-24-28(12)2)21-25-18-5-6-29(11-20(18)26-21)10-14-8-19(27-30-14)15-7-13(22)3-4-17(15)23/h3-9,11H,10H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole?
3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole has a molecular weight of 406.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-[[2-(1,5-dimethylpyrazol-4-yl)imidazo[4,5-c]pyridin-5-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 156838950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).