propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

C24H26ClN3O3 — CID 135141677

IUPACpropan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5nccn5c4Cl)ccc3O2)CC1
InChIInChI=1S/C24H26ClN3O3/c1-16(2)30-23(29)27-12-9-24(10-13-27)8-7-18-15-17(3-5-20(18)31-24)19-4-6-21-26-11-14-28(21)22(19)25/h3-6,11,14-16H,7-10,12-13H2,1-2H3
InChIKeyAOZFZVALOZWLJK-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.36
Rot. Bonds2

About propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate

propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 135141677) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
PubChem CID135141677
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Namepropan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5nccn5c4Cl)ccc3O2)CC1
InChIInChI=1S/C24H26ClN3O3/c1-16(2)30-23(29)27-12-9-24(10-13-27)8-7-18-15-17(3-5-20(18)31-24)19-4-6-21-26-11-14-28(21)22(19)25/h3-6,11,14-16H,7-10,12-13H2,1-2H3
InChIKeyAOZFZVALOZWLJK-UHFFFAOYSA-N
XLogP5.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.36
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 propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate (CID 135141677) is propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is CC(C)OC(=O)N1CCC2(CCc3cc(-c4ccc5nccn5c4Cl)ccc3O2)CC1.
What is the InChIKey of propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is AOZFZVALOZWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-16(2)30-23(29)27-12-9-24(10-13-27)8-7-18-15-17(3-5-20(18)31-24)19-4-6-21-26-11-14-28(21)22(19)25/h3-6,11,14-16H,7-10,12-13H2,1-2H3.
What are the key properties of propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate?
propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 439.94 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(5-chloroimidazo[1,2-a]pyridin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 135141677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).