6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C27H23N3O4 — CID 108810684

IUPAC6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccn4cc(-c5ccccc5)nc4c3)C1)O2
InChIInChI=1S/C27H23N3O4/c1-33-20-7-8-24-21(14-20)23(31)15-27(34-24)10-12-30(17-27)26(32)19-9-11-29-16-22(28-25(29)13-19)18-5-3-2-4-6-18/h2-9,11,13-14,16H,10,12,15,17H2,1H3
InChIKeyJZOYVTZZPKWXBV-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.26
Rot. Bonds3

About 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 108810684) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID108810684
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC Name6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccn4cc(-c5ccccc5)nc4c3)C1)O2
InChIInChI=1S/C27H23N3O4/c1-33-20-7-8-24-21(14-20)23(31)15-27(34-24)10-12-30(17-27)26(32)19-9-11-29-16-22(28-25(29)13-19)18-5-3-2-4-6-18/h2-9,11,13-14,16H,10,12,15,17H2,1H3
InChIKeyJZOYVTZZPKWXBV-UHFFFAOYSA-N
XLogP4.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[4-(dimethylamino)benzoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746423
6-methoxy-1'-(2-methoxybenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768631
6-methoxy-1'-(2-oxochromene-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746369
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
6-methoxy-1'-(3-methyl-4-nitrobenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746420
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
6-methoxy-1'-(2,2,2-trifluoroacetyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768625
1'-[3-(3-methoxyphenyl)-1-methylpyrazole-5-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586305
6-methoxy-1'-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746381
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-(5-chloro-2-methoxybenzoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768681
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 108810684) is 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccn4cc(-c5ccccc5)nc4c3)C1)O2.
What is the InChIKey of 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is JZOYVTZZPKWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-33-20-7-8-24-21(14-20)23(31)15-27(34-24)10-12-30(17-27)26(32)19-9-11-29-16-22(28-25(29)13-19)18-5-3-2-4-6-18/h2-9,11,13-14,16H,10,12,15,17H2,1H3.
What are the key properties of 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 453.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 108810684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).