(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

C25H32BrN3O2 — CID 10163190

IUPAC(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1
InChIInChI=1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-18-27-24-13-10-21(26)19-29(23)24/h8-13,18-19H,3-7,14-17H2,1-2H3
InChIKeyHNZVTBXQVUQCGF-UHFFFAOYSA-N
MW486.45 g/mol
LogP6.00
Rot. Bonds13

About (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone (PubChem CID 10163190) has the molecular formula C25H32BrN3O2 and a molecular weight of 486.45 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
PubChem CID10163190
Molecular FormulaC25H32BrN3O2
Molecular Weight486.45 g/mol
Exact Mass485.17
IUPAC Name(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
SMILESCCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1
InChIInChI=1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-18-27-24-13-10-21(26)19-29(23)24/h8-13,18-19H,3-7,14-17H2,1-2H3
InChIKeyHNZVTBXQVUQCGF-UHFFFAOYSA-N
XLogP6.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
The IUPAC name of (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone (CID 10163190) is (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone.
What is the SMILES notation for (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
The canonical SMILES for (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is CCCCN(CCCC)CCCOc1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1.
What is the InChIKey of (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
The InChIKey is HNZVTBXQVUQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrN3O2/c1-3-5-14-28(15-6-4-2)16-7-17-31-22-11-8-20(9-12-22)25(30)23-18-27-24-13-10-21(26)19-29(23)24/h8-13,18-19H,3-7,14-17H2,1-2H3.
What are the key properties of (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
(6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone has a molecular weight of 486.45 g/mol, XLogP of 6.00, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is sourced from PubChem (CID 10163190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).