2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide

C19H15BrN4O3 — CID 163371502

IUPAC2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide
SMILESO=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1nc2cccnc2o1
InChIInChI=1S/C19H15BrN4O3/c20-11-3-4-12-13(8-11)19(5-6-19)10-24(17(12)26)9-15(25)23-18-22-14-2-1-7-21-16(14)27-18/h1-4,7-8H,5-6,9-10H2,(H,22,23,25)
InChIKeyFWPDYHOETCTOGM-UHFFFAOYSA-N
MW427.26 g/mol
LogP3.11
Rot. Bonds3

About 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide

2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 163371502) has the molecular formula C19H15BrN4O3 and a molecular weight of 427.26 g/mol. Its IUPAC name is 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID163371502
Molecular FormulaC19H15BrN4O3
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC Name2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide
SMILESO=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1nc2cccnc2o1
InChIInChI=1S/C19H15BrN4O3/c20-11-3-4-12-13(8-11)19(5-6-19)10-24(17(12)26)9-15(25)23-18-22-14-2-1-7-21-16(14)27-18/h1-4,7-8H,5-6,9-10H2,(H,22,23,25)
InChIKeyFWPDYHOETCTOGM-UHFFFAOYSA-N
XLogP3.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide with MolForge

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Related Compounds

2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-pyrimidin-2-ylacetamide
CID 163371396
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1,8-naphthyridin-2-yl)acetamide
CID 163371305
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 163371837
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-fluoroacetamide
CID 163371937
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(2-methylimidazo[1,2-b]pyridazin-6-yl)acetamide
CID 163370957
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1-methyl-6-oxopyridazin-3-yl)acetamide
CID 163370956
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(1H-indol-6-yl)acetamide
CID 163371392
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-methyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 163371736
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(3-fluoro-5-isocyano-2-pyridinyl)acetamide
CID 170542089
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 163371086
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-[(3R)-piperidin-3-yl]acetamide
CID 163371757
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-[3-(1H-pyrazol-5-yl)cyclobutyl]acetamide
CID 163371367

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide (CID 163371502) is 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide is O=C(CN1CC2(CC2)c2cc(Br)ccc2C1=O)Nc1nc2cccnc2o1.
What is the InChIKey of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is FWPDYHOETCTOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O3/c20-11-3-4-12-13(8-11)19(5-6-19)10-24(17(12)26)9-15(25)23-18-22-14-2-1-7-21-16(14)27-18/h1-4,7-8H,5-6,9-10H2,(H,22,23,25).
What are the key properties of 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide?
2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 427.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-([1,3]oxazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 163371502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).