7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine

C25H26N4O2S — CID 5329350

IUPAC7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H26N4O2S/c1-32(30,31)28-15-13-27(14-16-28)19-20-7-9-21(10-8-20)23-11-12-29-24(18-26-25(29)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3
InChIKeyVICXPDHKANRRSW-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.75
Rot. Bonds5

About 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine

7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine (PubChem CID 5329350) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID5329350
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C25H26N4O2S/c1-32(30,31)28-15-13-27(14-16-28)19-20-7-9-21(10-8-20)23-11-12-29-24(18-26-25(29)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3
InChIKeyVICXPDHKANRRSW-UHFFFAOYSA-N
XLogP3.75
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine (CID 5329350) is 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine is CS(=O)(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1.
What is the InChIKey of 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is VICXPDHKANRRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-32(30,31)28-15-13-27(14-16-28)19-20-7-9-21(10-8-20)23-11-12-29-24(18-26-25(29)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 446.58 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 5329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).