7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one

C21H20N2O3 — CID 112787885

IUPAC7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cn4cc(C)ccc4n3)ccc12
InChIInChI=1S/C21H20N2O3/c1-3-4-15-9-21(24)26-19-10-17(6-7-18(15)19)25-13-16-12-23-11-14(2)5-8-20(23)22-16/h5-12H,3-4,13H2,1-2H3
InChIKeyQGGSTBGWUIHCTH-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.28
Rot. Bonds5

About 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one

7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one (PubChem CID 112787885) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
PubChem CID112787885
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCc3cn4cc(C)ccc4n3)ccc12
InChIInChI=1S/C21H20N2O3/c1-3-4-15-9-21(24)26-19-10-17(6-7-18(15)19)25-13-16-12-23-11-14(2)5-8-20(23)22-16/h5-12H,3-4,13H2,1-2H3
InChIKeyQGGSTBGWUIHCTH-UHFFFAOYSA-N
XLogP4.28
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one (CID 112787885) is 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCc3cn4cc(C)ccc4n3)ccc12.
What is the InChIKey of 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one?
The InChIKey is QGGSTBGWUIHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-4-15-9-21(24)26-19-10-17(6-7-18(15)19)25-13-16-12-23-11-14(2)5-8-20(23)22-16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one?
7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one has a molecular weight of 348.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-4-propylchromen-2-one is sourced from PubChem (CID 112787885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).