2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C25H29N5O2S — CID 39461568

IUPAC2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1)N1CCCC1
InChIInChI=1S/C25H29N5O2S/c31-24(28-10-3-4-11-28)18-27-13-15-29(16-14-27)25(32)20-6-8-22(9-7-20)33-19-21-17-30-12-2-1-5-23(30)26-21/h1-2,5-9,12,17H,3-4,10-11,13-16,18-19H2
InChIKeyROBPIOIHUWXLLI-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.01
Rot. Bonds6

About 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 39461568) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID39461568
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1)N1CCCC1
InChIInChI=1S/C25H29N5O2S/c31-24(28-10-3-4-11-28)18-27-13-15-29(16-14-27)25(32)20-6-8-22(9-7-20)33-19-21-17-30-12-2-1-5-23(30)26-21/h1-2,5-9,12,17H,3-4,10-11,13-16,18-19H2
InChIKeyROBPIOIHUWXLLI-UHFFFAOYSA-N
XLogP3.01
TPSA61.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 47092690
[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56541935
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone;dihydrochloride
CID 120805376
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
2-[4-(4-phenoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 8893050

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 39461568) is 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1)N1CCCC1.
What is the InChIKey of 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ROBPIOIHUWXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c31-24(28-10-3-4-11-28)18-27-13-15-29(16-14-27)25(32)20-6-8-22(9-7-20)33-19-21-17-30-12-2-1-5-23(30)26-21/h1-2,5-9,12,17H,3-4,10-11,13-16,18-19H2.
What are the key properties of 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 463.61 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39461568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).