5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one

C15H17BrN4O3 — CID 127749445

IUPAC5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one
SMILESCc1nn(C)c2c1N(C(=O)CCn1cc(Br)ccc1=O)CCO2
InChIInChI=1S/C15H17BrN4O3/c1-10-14-15(18(2)17-10)23-8-7-20(14)13(22)5-6-19-9-11(16)3-4-12(19)21/h3-4,9H,5-8H2,1-2H3
InChIKeyVJHVQDDPPWSMFW-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.47
Rot. Bonds3

About 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one

5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 127749445) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one
PubChem CID127749445
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Name5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one
SMILESCc1nn(C)c2c1N(C(=O)CCn1cc(Br)ccc1=O)CCO2
InChIInChI=1S/C15H17BrN4O3/c1-10-14-15(18(2)17-10)23-8-7-20(14)13(22)5-6-19-9-11(16)3-4-12(19)21/h3-4,9H,5-8H2,1-2H3
InChIKeyVJHVQDDPPWSMFW-UHFFFAOYSA-N
XLogP1.47
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
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5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
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CID 60559680
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 94155096
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one (CID 127749445) is 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one is Cc1nn(C)c2c1N(C(=O)CCn1cc(Br)ccc1=O)CCO2.
What is the InChIKey of 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is VJHVQDDPPWSMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-10-14-15(18(2)17-10)23-8-7-20(14)13(22)5-6-19-9-11(16)3-4-12(19)21/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one?
5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 381.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 127749445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).