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

C18H13BrN4O2 — CID 165415081

IUPAC4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)c1Br
InChIInChI=1S/C18H13BrN4O2/c1-11-16(19)17(25-22-11)18(24)20-13-7-8-14-9-15(21-23(14)10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)
InChIKeyKREIWEPLUOBDQH-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.31
Rot. Bonds3

About 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide

4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide (PubChem CID 165415081) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
PubChem CID165415081
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC Name4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)c1Br
InChIInChI=1S/C18H13BrN4O2/c1-11-16(19)17(25-22-11)18(24)20-13-7-8-14-9-15(21-23(14)10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)
InChIKeyKREIWEPLUOBDQH-UHFFFAOYSA-N
XLogP4.31
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide (CID 165415081) is 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2ccc3cc(-c4ccccc4)nn3c2)c1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is KREIWEPLUOBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c1-11-16(19)17(25-22-11)18(24)20-13-7-8-14-9-15(21-23(14)10-13)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24).
What are the key properties of 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide?
4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 397.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 165415081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).