3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C20H17F2N5O2 — CID 24626413

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc12
InChIInChI=1S/C20H17F2N5O2/c1-11-13-8-12(9-24-20(13)27(2)26-11)25-17(28)6-7-18-23-10-16(29-18)19-14(21)4-3-5-15(19)22/h3-5,8-10H,6-7H2,1-2H3,(H,25,28)
InChIKeyAVOYDBLUJBNDGE-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.78
Rot. Bonds5

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 24626413) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID24626413
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc12
InChIInChI=1S/C20H17F2N5O2/c1-11-13-8-12(9-24-20(13)27(2)26-11)25-17(28)6-7-18-23-10-16(29-18)19-14(21)4-3-5-15(19)22/h3-5,8-10H,6-7H2,1-2H3,(H,25,28)
InChIKeyAVOYDBLUJBNDGE-UHFFFAOYSA-N
XLogP3.78
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
N-(4-acetylphenyl)-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 25399121
N-[4-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]-3-methylbutanamide
CID 33037356
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 38736078
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51334690
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridin-3-ylpropanamide
CID 25349353
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24660031
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)phenyl]propanamide
CID 30875412
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30873277
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 18280238

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 24626413) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2ncc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)cc12.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is AVOYDBLUJBNDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-11-13-8-12(9-24-20(13)27(2)26-11)25-17(28)6-7-18-23-10-16(29-18)19-14(21)4-3-5-15(19)22/h3-5,8-10H,6-7H2,1-2H3,(H,25,28).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 397.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24626413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).