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

C22H22N4O2 — CID 155548937

IUPAC3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1
InChIInChI=1S/C22H22N4O2/c1-2-15-3-6-21-24-19(14-26(21)13-15)18-11-16-4-5-17(12-20(16)28-22(18)27)25-9-7-23-8-10-25/h3-6,11-14,23H,2,7-10H2,1H3
InChIKeyBKBSSLPEYSUWFK-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.08
Rot. Bonds3

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

3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 155548937) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
PubChem CID155548937
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1
InChIInChI=1S/C22H22N4O2/c1-2-15-3-6-21-24-19(14-26(21)13-15)18-11-16-4-5-17(12-20(16)28-22(18)27)25-9-7-23-8-10-25/h3-6,11-14,23H,2,7-10H2,1H3
InChIKeyBKBSSLPEYSUWFK-UHFFFAOYSA-N
XLogP3.08
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.08
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-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (CID 155548937) is 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is CCc1ccc2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cn2c1.
What is the InChIKey of 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The InChIKey is BKBSSLPEYSUWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-2-15-3-6-21-24-19(14-26(21)13-15)18-11-16-4-5-17(12-20(16)28-22(18)27)25-9-7-23-8-10-25/h3-6,11-14,23H,2,7-10H2,1H3.
What are the key properties of 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 155548937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).