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

C25H28N4O2S — CID 55616185

IUPAC[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H28N4O2S/c30-24(27-12-5-6-13-27)19-10-15-28(16-11-19)25(31)21-7-1-2-8-22(21)32-18-20-17-29-14-4-3-9-23(29)26-20/h1-4,7-9,14,17,19H,5-6,10-13,15-16,18H2
InChIKeyPHELPEUVOLXKQD-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.10
Rot. Bonds5

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

[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55616185) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55616185
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H28N4O2S/c30-24(27-12-5-6-13-27)19-10-15-28(16-11-19)25(31)21-7-1-2-8-22(21)32-18-20-17-29-14-4-3-9-23(29)26-20/h1-4,7-9,14,17,19H,5-6,10-13,15-16,18H2
InChIKeyPHELPEUVOLXKQD-UHFFFAOYSA-N
XLogP4.10
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 154860046
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 154858648
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55965135
N-(3,5-dichlorophenyl)-2-[4-[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]pyrrolidin-3-yl]triazol-1-yl]acetamide
CID 167784454
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 37288276

Frequently Asked Questions

What is the IUPAC name of [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55616185) is [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PHELPEUVOLXKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c30-24(27-12-5-6-13-27)19-10-15-28(16-11-19)25(31)21-7-1-2-8-22(21)32-18-20-17-29-14-4-3-9-23(29)26-20/h1-4,7-9,14,17,19H,5-6,10-13,15-16,18H2.
What are the key properties of [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 448.59 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55616185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).