7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

C22H19FN4O2 — CID 71621074

IUPAC7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC6(CNC6)C5)cc4oc3=O)cc(F)c2n1
InChIInChI=1S/C22H19FN4O2/c1-13-7-26-8-15(5-18(23)20(26)25-13)17-4-14-2-3-16(6-19(14)29-21(17)28)27-11-22(12-27)9-24-10-22/h2-8,24H,9-12H2,1H3
InChIKeyKJISIIZOCLMFNX-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.96
Rot. Bonds2

About 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (PubChem CID 71621074) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.

Molecular Properties

Compound Name7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
PubChem CID71621074
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC6(CNC6)C5)cc4oc3=O)cc(F)c2n1
InChIInChI=1S/C22H19FN4O2/c1-13-7-26-8-15(5-18(23)20(26)25-13)17-4-14-2-3-16(6-19(14)29-21(17)28)27-11-22(12-27)9-24-10-22/h2-8,24H,9-12H2,1H3
InChIKeyKJISIIZOCLMFNX-UHFFFAOYSA-N
XLogP2.96
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The IUPAC name of 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (CID 71621074) is 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.
What is the SMILES notation for 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The canonical SMILES for 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CC6(CNC6)C5)cc4oc3=O)cc(F)c2n1.
What is the InChIKey of 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The InChIKey is KJISIIZOCLMFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-13-7-26-8-15(5-18(23)20(26)25-13)17-4-14-2-3-16(6-19(14)29-21(17)28)27-11-22(12-27)9-24-10-22/h2-8,24H,9-12H2,1H3.
What are the key properties of 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one has a molecular weight of 390.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diazaspiro[3.3]heptan-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is sourced from PubChem (CID 71621074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).