3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one

C21H18ClFN4O2 — CID 123546827

IUPAC3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one
SMILESCC1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1
InChIInChI=1S/C21H18ClFN4O2/c1-12-10-26(6-4-24-12)13-7-17(23)14-9-15(21(28)29-19(14)8-13)18-11-27-5-2-3-16(22)20(27)25-18/h2-3,5,7-9,11-12,24H,4,6,10H2,1H3
InChIKeyHFTTXUKJXNOKGT-UHFFFAOYSA-N
MW412.85 g/mol
LogP3.70
Rot. Bonds2

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one (PubChem CID 123546827) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one
PubChem CID123546827
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC Name3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one
SMILESCC1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1
InChIInChI=1S/C21H18ClFN4O2/c1-12-10-26(6-4-24-12)13-7-17(23)14-9-15(21(28)29-19(14)8-13)18-11-27-5-2-3-16(22)20(27)25-18/h2-3,5,7-9,11-12,24H,4,6,10H2,1H3
InChIKeyHFTTXUKJXNOKGT-UHFFFAOYSA-N
XLogP3.70
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 53.70
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

(S)-3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3-methylpiperazin-1-yl)-2H-chromen-2-one
CID 89655253
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 89671036
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
CID 767302
3-(7-Methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 830970
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 7338074
3-(Imidazo[1,2-a]pyridin-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 71622408
3-(6-Methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622687
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 89654975
7-(4-Tert-butylpiperazin-1-yl)-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 89655966
3-(6-Methylimidazo[1,2-a]pyrazin-2-yl)-7-(piperazin-1-yl)-2h-chromen-2-one
CID 89655987
3-Imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one
CID 89656703

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one (CID 123546827) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one is CC1CN(c2cc(F)c3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CCN1.
What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is HFTTXUKJXNOKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c1-12-10-26(6-4-24-12)13-7-17(23)14-9-15(21(28)29-19(14)8-13)18-11-27-5-2-3-16(22)20(27)25-18/h2-3,5,7-9,11-12,24H,4,6,10H2,1H3.
What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one?
3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 412.85 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-5-fluoro-7-(3-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 123546827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).