4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C18H15BrN4O3 — CID 166358779

IUPAC4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1cnn2cccc(Br)c12
InChIInChI=1S/C18H15BrN4O3/c19-13-4-3-8-23-17(13)12(10-21-23)18(25)20-7-9-22-14-5-1-2-6-15(14)26-11-16(22)24/h1-6,8,10H,7,9,11H2,(H,20,25)
InChIKeyBIXAWLGSVIMNOK-UHFFFAOYSA-N
MW415.25 g/mol
LogP2.25
Rot. Bonds4

About 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 166358779) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID166358779
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC Name4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NCCN1C(=O)COc2ccccc21)c1cnn2cccc(Br)c12
InChIInChI=1S/C18H15BrN4O3/c19-13-4-3-8-23-17(13)12(10-21-23)18(25)20-7-9-22-14-5-1-2-6-15(14)26-11-16(22)24/h1-6,8,10H,7,9,11H2,(H,20,25)
InChIKeyBIXAWLGSVIMNOK-UHFFFAOYSA-N
XLogP2.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]quinoline-3-carboxamide
CID 167794067
2-(2-fluorophenyl)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729840
5-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-indazole-3-carboxamide
CID 166201804
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
N-(2-imidazol-1-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51072501
8-methyl-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cinnoline-3-carboxamide
CID 166358753
(E)-4-(dimethylamino)-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]but-2-enamide
CID 146100935
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
4-(5-hydroxypentyl)-1,4-benzoxazin-3-one
CID 62229355
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 166220908

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 166358779) is 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NCCN1C(=O)COc2ccccc21)c1cnn2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BIXAWLGSVIMNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c19-13-4-3-8-23-17(13)12(10-21-23)18(25)20-7-9-22-14-5-1-2-6-15(14)26-11-16(22)24/h1-6,8,10H,7,9,11H2,(H,20,25).
What are the key properties of 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 415.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 166358779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).