5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide

C21H13BrN4O2 — CID 165415078

IUPAC5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2cc(-c3ccccc3)nn2c1)c1onc2ccc(Br)cc12
InChIInChI=1S/C21H13BrN4O2/c22-14-6-9-18-17(10-14)20(28-25-18)21(27)23-15-7-8-16-11-19(24-26(16)12-15)13-4-2-1-3-5-13/h1-12H,(H,23,27)
InChIKeyNWUOOQRHGOJIOQ-UHFFFAOYSA-N
MW433.27 g/mol
LogP5.16
Rot. Bonds3

About 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide

5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide (PubChem CID 165415078) has the molecular formula C21H13BrN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide
PubChem CID165415078
Molecular FormulaC21H13BrN4O2
Molecular Weight433.27 g/mol
Exact Mass432.02
IUPAC Name5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc2cc(-c3ccccc3)nn2c1)c1onc2ccc(Br)cc12
InChIInChI=1S/C21H13BrN4O2/c22-14-6-9-18-17(10-14)20(28-25-18)21(27)23-15-7-8-16-11-19(24-26(16)12-15)13-4-2-1-3-5-13/h1-12H,(H,23,27)
InChIKeyNWUOOQRHGOJIOQ-UHFFFAOYSA-N
XLogP5.16
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-5-carboxamide
CID 22978169
4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
CID 165415081
5-bromo-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
CID 165415111
N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
CID 165415163
N~4~-(3,5-Dimethyl-4-isoxazolyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-YL)-4-quinolinecarboxamide
CID 19584399
1-(4-fluorophenyl)-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 54589156
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 68071736
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-[1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 77453743
6-bromo-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118678360
6-bromo-N-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118678489
5-phenyl-N-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 156596081
5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 156596082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide (CID 165415078) is 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide is O=C(Nc1ccc2cc(-c3ccccc3)nn2c1)c1onc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide?
The InChIKey is NWUOOQRHGOJIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN4O2/c22-14-6-9-18-17(10-14)20(28-25-18)21(27)23-15-7-8-16-11-19(24-26(16)12-15)13-4-2-1-3-5-13/h1-12H,(H,23,27).
What are the key properties of 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide?
5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide has a molecular weight of 433.27 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 165415078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).