(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

C23H28N4O2S — CID 30693470

IUPAC(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1ccc2nc(-c3ccccc3)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2c1
InChIInChI=1S/C23H28N4O2S/c1-18-7-8-22-24-23(19-5-3-2-4-6-19)21(27(22)15-18)16-25-10-12-26(13-11-25)20-9-14-30(28,29)17-20/h2-8,15,20H,9-14,16-17H2,1H3/t20-/m0/s1
InChIKeyJLMIFAMHUGESAG-FQEVSTJZSA-N
MW424.57 g/mol
LogP2.61
Rot. Bonds4

About (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide

(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 30693470) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID30693470
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1ccc2nc(-c3ccccc3)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2c1
InChIInChI=1S/C23H28N4O2S/c1-18-7-8-22-24-23(19-5-3-2-4-6-19)21(27(22)15-18)16-25-10-12-26(13-11-25)20-9-14-30(28,29)17-20/h2-8,15,20H,9-14,16-17H2,1H3/t20-/m0/s1
InChIKeyJLMIFAMHUGESAG-FQEVSTJZSA-N
XLogP2.61
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 8971441
3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 42916794
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
3-[4-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 45168668
(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 97085497
1-[4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281402
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
6-cyclohexa-1,5-dien-1-yl-2-(4-methylphenyl)-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 144747931
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenylpyridazin-3-one
CID 94663619
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 96557174

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide (CID 30693470) is (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is Cc1ccc2nc(-c3ccccc3)c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)n2c1.
What is the InChIKey of (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is JLMIFAMHUGESAG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-18-7-8-22-24-23(19-5-3-2-4-6-19)21(27(22)15-18)16-25-10-12-26(13-11-25)20-9-14-30(28,29)17-20/h2-8,15,20H,9-14,16-17H2,1H3/t20-/m0/s1.
What are the key properties of (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide?
(3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 424.57 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 30693470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).