[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

C25H24N4OS — CID 31405038

IUPAC[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4OS/c30-25(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-4-5-11-23(22)31-19-20-18-29-13-7-6-12-24(29)26-20/h1-13,18H,14-17,19H2
InChIKeyLNZGWQUHFLVTEP-UHFFFAOYSA-N
MW428.56 g/mol
LogP4.59
Rot. Bonds5

About [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 31405038) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID31405038
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1SCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H24N4OS/c30-25(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-4-5-11-23(22)31-19-20-18-29-13-7-6-12-24(29)26-20/h1-13,18H,14-17,19H2
InChIKeyLNZGWQUHFLVTEP-UHFFFAOYSA-N
XLogP4.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
[(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]-(2-methylmorpholin-4-yl)methanone
CID 134048827
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 2997168
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 154860046
[(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)-N-(oxan-4-yl)benzamide
CID 154858648
N-(3-hydroxypropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78854545
N-(1-hydroxypropan-2-yl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 78857402

Frequently Asked Questions

What is the IUPAC name of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 31405038) is [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1SCc1cn2ccccc2n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is LNZGWQUHFLVTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c30-25(28-16-14-27(15-17-28)21-8-2-1-3-9-21)22-10-4-5-11-23(22)31-19-20-18-29-13-7-6-12-24(29)26-20/h1-13,18H,14-17,19H2.
What are the key properties of [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 428.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 31405038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).