[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C22H27N5O3S2 — CID 134056733

IUPAC[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H27N5O3S2/c28-22(18-6-9-27(10-7-18)32(29,30)21-5-3-15-31-21)25-13-11-24(12-14-25)16-19-17-26-8-2-1-4-20(26)23-19/h1-5,8,15,17-18H,6-7,9-14,16H2
InChIKeyUXPIBUUMAYHRKA-UHFFFAOYSA-N
MW473.62 g/mol
LogP2.14
Rot. Bonds5

About [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 134056733) has the molecular formula C22H27N5O3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID134056733
Molecular FormulaC22H27N5O3S2
Molecular Weight473.62 g/mol
Exact Mass473.16
IUPAC Name[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H27N5O3S2/c28-22(18-6-9-27(10-7-18)32(29,30)21-5-3-15-31-21)25-13-11-24(12-14-25)16-19-17-26-8-2-1-4-20(26)23-19/h1-5,8,15,17-18H,6-7,9-14,16H2
InChIKeyUXPIBUUMAYHRKA-UHFFFAOYSA-N
XLogP2.14
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 94538557
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
(4-hydroxypyrrolidin-2-yl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837405
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 134056733) is [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is UXPIBUUMAYHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S2/c28-22(18-6-9-27(10-7-18)32(29,30)21-5-3-15-31-21)25-13-11-24(12-14-25)16-19-17-26-8-2-1-4-20(26)23-19/h1-5,8,15,17-18H,6-7,9-14,16H2.
What are the key properties of [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 473.62 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 134056733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).