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

C21H20N4O2 — CID 71622687

IUPAC3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1
InChIInChI=1S/C21H20N4O2/c1-14-2-5-20-23-18(13-25(20)12-14)17-10-15-3-4-16(11-19(15)27-21(17)26)24-8-6-22-7-9-24/h2-5,10-13,22H,6-9H2,1H3
InChIKeyNMGPOGZDVSQOCI-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.83
Rot. Bonds2

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

3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 71622687) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
PubChem CID71622687
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1
InChIInChI=1S/C21H20N4O2/c1-14-2-5-20-23-18(13-25(20)12-14)17-10-15-3-4-16(11-19(15)27-21(17)26)24-8-6-22-7-9-24/h2-5,10-13,22H,6-9H2,1H3
InChIKeyNMGPOGZDVSQOCI-UHFFFAOYSA-N
XLogP2.83
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.83
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 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (CID 71622687) is 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is Cc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1.
What is the InChIKey of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The InChIKey is NMGPOGZDVSQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-2-5-20-23-18(13-25(20)12-14)17-10-15-3-4-16(11-19(15)27-21(17)26)24-8-6-22-7-9-24/h2-5,10-13,22H,6-9H2,1H3.
What are the key properties of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 71622687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).