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

C22H21FN4O2 — CID 123206233

IUPAC7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC(C)N1
InChIInChI=1S/C22H21FN4O2/c1-13-10-27(11-14(2)24-13)16-6-5-15-8-17(22(28)29-20(15)9-16)19-12-26-7-3-4-18(23)21(26)25-19/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyRVTNNMSAKXXYCB-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.43
Rot. Bonds2

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

7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one (PubChem CID 123206233) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
PubChem CID123206233
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
SMILESCC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC(C)N1
InChIInChI=1S/C22H21FN4O2/c1-13-10-27(11-14(2)24-13)16-6-5-15-8-17(22(28)29-20(15)9-16)19-12-26-7-3-4-18(23)21(26)25-19/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyRVTNNMSAKXXYCB-UHFFFAOYSA-N
XLogP3.43
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.43
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

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
7-[(3S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-ylchromen-2-one
CID 139430953
7-(3,5-dimethylpiperazin-1-yl)-3-pyrrolo[1,2-a]pyrimidin-7-ylchromen-2-one
CID 123896689
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784
7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
CID 123816023
7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 158832572
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870
7-(3,5-dimethylpiperazin-1-yl)-3-(3-fluoro-8-methyl-8,9-dihydropyrimido[1,2-a]azepin-7-yl)chromen-2-one
CID 123750179
3-(4-chloro-1,3-benzothiazol-2-yl)-7-(3,5-dimethylpiperazin-1-yl)chromen-2-one
CID 78137032
3-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-7-[4-(hydroxymethyl)piperazin-1-yl]chromen-2-one
CID 170703476

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The IUPAC name of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one (CID 123206233) is 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one is CC1CN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3c2)CC(C)N1.
What is the InChIKey of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
The InChIKey is RVTNNMSAKXXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-13-10-27(11-14(2)24-13)16-6-5-15-8-17(22(28)29-20(15)9-16)19-12-26-7-3-4-18(23)21(26)25-19/h3-9,12-14,24H,10-11H2,1-2H3.
What are the key properties of 7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one?
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one has a molecular weight of 392.43 g/mol, XLogP of 3.43, 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-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 123206233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).