7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

C21H20N2O2 — CID 118041632

IUPAC7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
SMILESCCCCc1ccc2cc(-c3ccc4nc(C)cn4c3)c(=O)oc2c1
InChIInChI=1S/C21H20N2O2/c1-3-4-5-15-6-7-16-11-18(21(24)25-19(16)10-15)17-8-9-20-22-14(2)12-23(20)13-17/h6-13H,3-5H2,1-2H3
InChIKeyMSXSNDZKQDUCRZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.76
Rot. Bonds4

About 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one

7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (PubChem CID 118041632) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.

Molecular Properties

Compound Name7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
PubChem CID118041632
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
SMILESCCCCc1ccc2cc(-c3ccc4nc(C)cn4c3)c(=O)oc2c1
InChIInChI=1S/C21H20N2O2/c1-3-4-5-15-6-7-16-11-18(21(24)25-19(16)10-15)17-8-9-20-22-14(2)12-23(20)13-17/h6-13H,3-5H2,1-2H3
InChIKeyMSXSNDZKQDUCRZ-UHFFFAOYSA-N
XLogP4.76
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The IUPAC name of 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one (CID 118041632) is 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one.
What is the SMILES notation for 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The canonical SMILES for 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is CCCCc1ccc2cc(-c3ccc4nc(C)cn4c3)c(=O)oc2c1.
What is the InChIKey of 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
The InChIKey is MSXSNDZKQDUCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-4-5-15-6-7-16-11-18(21(24)25-19(16)10-15)17-8-9-20-22-14(2)12-23(20)13-17/h6-13H,3-5H2,1-2H3.
What are the key properties of 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one?
7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one has a molecular weight of 332.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3-(2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one is sourced from PubChem (CID 118041632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).