6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one

C22H22N4O2 — CID 123614687

IUPAC6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
SMILESCC1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CC(C)N1
InChIInChI=1S/C22H22N4O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18/h3-10,13-15,23H,11-12H2,1-2H3
InChIKeyNYUPWAFNYIVNPO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.29
Rot. Bonds2

About 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one

6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one (PubChem CID 123614687) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
PubChem CID123614687
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one
SMILESCC1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CC(C)N1
InChIInChI=1S/C22H22N4O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18/h3-10,13-15,23H,11-12H2,1-2H3
InChIKeyNYUPWAFNYIVNPO-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]chromen-4-one
CID 71765112
2-(3,4-dimethoxyphenyl)-6-(3,5-dimethylpiperazin-1-yl)chromen-4-one
CID 123601875
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147521
3-(6-chloro-8-methylimidazo[1,2-a]pyrazin-2-yl)-7-(3,5-dimethylpiperazin-1-yl)isochromen-1-one
CID 78147845
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
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
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one
CID 71730377
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one?
The IUPAC name of 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one (CID 123614687) is 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one.
What is the SMILES notation for 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one?
The canonical SMILES for 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one is CC1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CC(C)N1.
What is the InChIKey of 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one?
The InChIKey is NYUPWAFNYIVNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18/h3-10,13-15,23H,11-12H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one?
6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one is sourced from PubChem (CID 123614687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).