2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone

C19H18BrN3O — CID 53300572

IUPAC2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccccc2)nc2ccc(Br)cn12)N1CCCC1
InChIInChI=1S/C19H18BrN3O/c20-15-8-9-17-21-19(14-6-2-1-3-7-14)16(23(17)13-15)12-18(24)22-10-4-5-11-22/h1-3,6-9,13H,4-5,10-12H2
InChIKeyVSNSMOUQIDGBAR-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.93
Rot. Bonds3

About 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone

2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 53300572) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
PubChem CID53300572
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1c(-c2ccccc2)nc2ccc(Br)cn12)N1CCCC1
InChIInChI=1S/C19H18BrN3O/c20-15-8-9-17-21-19(14-6-2-1-3-7-14)16(23(17)13-15)12-18(24)22-10-4-5-11-22/h1-3,6-9,13H,4-5,10-12H2
InChIKeyVSNSMOUQIDGBAR-UHFFFAOYSA-N
XLogP3.93
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone (CID 53300572) is 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone is O=C(Cc1c(-c2ccccc2)nc2ccc(Br)cn12)N1CCCC1.
What is the InChIKey of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is VSNSMOUQIDGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-15-8-9-17-21-19(14-6-2-1-3-7-14)16(23(17)13-15)12-18(24)22-10-4-5-11-22/h1-3,6-9,13H,4-5,10-12H2.
What are the key properties of 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone?
2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 384.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53300572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).