7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

C23H21F3N4O2 — CID 78137103

IUPAC7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC(C)N1
InChIInChI=1S/C23H21F3N4O2/c1-13-10-30(11-14(2)27-13)16-6-5-15-8-17(22(31)32-20(15)9-16)19-12-29-7-3-4-18(21(29)28-19)23(24,25)26/h3-9,12-14,27H,10-11H2,1-2H3
InChIKeyRPNCAUKGJVOPFA-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.31
Rot. Bonds2

About 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one

7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (PubChem CID 78137103) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
PubChem CID78137103
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC(C)N1
InChIInChI=1S/C23H21F3N4O2/c1-13-10-30(11-14(2)27-13)16-6-5-15-8-17(22(31)32-20(15)9-16)19-12-29-7-3-4-18(21(29)28-19)23(24,25)26/h3-9,12-14,27H,10-11H2,1-2H3
InChIKeyRPNCAUKGJVOPFA-UHFFFAOYSA-N
XLogP4.31
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.31
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
8-Methoxy-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 767326
3-(imidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 397075
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 767317
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
CID 2877674
N-[4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridin-2-yl]-1-propan-2-ylpiperidine-4-carboxamide
CID 11433057
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

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one (CID 78137103) is 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is CC1CN(c2ccc3cc(-c4cn5cccc(C(F)(F)F)c5n4)c(=O)oc3c2)CC(C)N1.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?
The InChIKey is RPNCAUKGJVOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-13-10-30(11-14(2)27-13)16-6-5-15-8-17(22(31)32-20(15)9-16)19-12-29-7-3-4-18(21(29)28-19)23(24,25)26/h3-9,12-14,27H,10-11H2,1-2H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one?
7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one has a molecular weight of 442.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazin-1-yl)-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one is sourced from PubChem (CID 78137103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).