1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone

C23H26ClN3O3 — CID 148636076

IUPAC1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(Oc2ccc(-c3ccc4nccn4c3Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3/c1-16(2)29-15-22(28)26-12-9-19(10-13-26)30-18-5-3-17(4-6-18)20-7-8-21-25-11-14-27(21)23(20)24/h3-8,11,14,16,19H,9-10,12-13,15H2,1-2H3
InChIKeyNJCGPDVYRFADSM-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 148636076) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID148636076
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(Oc2ccc(-c3ccc4nccn4c3Cl)cc2)CC1
InChIInChI=1S/C23H26ClN3O3/c1-16(2)29-15-22(28)26-12-9-19(10-13-26)30-18-5-3-17(4-6-18)20-7-8-21-25-11-14-27(21)23(20)24/h3-8,11,14,16,19H,9-10,12-13,15H2,1-2H3
InChIKeyNJCGPDVYRFADSM-UHFFFAOYSA-N
XLogP4.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone (CID 148636076) is 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(Oc2ccc(-c3ccc4nccn4c3Cl)cc2)CC1.
What is the InChIKey of 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is NJCGPDVYRFADSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-16(2)29-15-22(28)26-12-9-19(10-13-26)30-18-5-3-17(4-6-18)20-7-8-21-25-11-14-27(21)23(20)24/h3-8,11,14,16,19H,9-10,12-13,15H2,1-2H3.
What are the key properties of 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 427.93 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-chloroimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 148636076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).