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

C22H22N4O2 — CID 123210784

IUPAC3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)nc2c1
InChIInChI=1S/C22H22N4O2/c1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25/h3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3
InChIKeyFGIQSNJZVMFREC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds2

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

3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one (PubChem CID 123210784) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
PubChem CID123210784
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)nc2c1
InChIInChI=1S/C22H22N4O2/c1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25/h3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3
InChIKeyFGIQSNJZVMFREC-UHFFFAOYSA-N
XLogP3.21
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
CID 71731526
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
CID 123816023
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 71732059
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-7-[4-(hydroxymethyl)piperazin-1-yl]chromen-2-one
CID 170703476
3-(3,5-dimethoxyphenyl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123141054
7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
CID 71730113
7-(2,4-dimethylpiperazin-1-yl)-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
CID 78161663
7-(3,5-dimethylpiperazin-1-yl)-3-pyrrolo[1,2-a]pyrimidin-7-ylchromen-2-one
CID 123896689

Frequently Asked Questions

What is the IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one (CID 123210784) is 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one is Cc1ccn2cc(-c3cc4ccc(N5CCNC(C)C5)cc4oc3=O)nc2c1.
What is the InChIKey of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is FGIQSNJZVMFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-5-7-26-13-19(24-21(26)9-14)18-10-16-3-4-17(11-20(16)28-22(18)27)25-8-6-23-15(2)12-25/h3-5,7,9-11,13,15,23H,6,8,12H2,1-2H3.
What are the key properties of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one?
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 123210784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).