[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate

C22H24BrN3O2 — CID 1195024

IUPAC[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)c1
InChIInChI=1S/C22H24BrN3O2/c1-2-20(27)28-18-10-6-7-15(13-18)21-22(24-17-8-4-3-5-9-17)26-14-16(23)11-12-19(26)25-21/h6-7,10-14,17,24H,2-5,8-9H2,1H3
InChIKeyLKIFMOVTHYSZAA-UHFFFAOYSA-N
MW442.36 g/mol
LogP5.82
Rot. Bonds5

About [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate

[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate (PubChem CID 1195024) has the molecular formula C22H24BrN3O2 and a molecular weight of 442.36 g/mol. Its IUPAC name is [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate.

Molecular Properties

Compound Name[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
PubChem CID1195024
Molecular FormulaC22H24BrN3O2
Molecular Weight442.36 g/mol
Exact Mass441.11
IUPAC Name[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)c1
InChIInChI=1S/C22H24BrN3O2/c1-2-20(27)28-18-10-6-7-15(13-18)21-22(24-17-8-4-3-5-9-17)26-14-16(23)11-12-19(26)25-21/h6-7,10-14,17,24H,2-5,8-9H2,1H3
InChIKeyLKIFMOVTHYSZAA-UHFFFAOYSA-N
XLogP5.82
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.36
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate with MolForge

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Related Compounds

6-bromo-N-cyclohexyl-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4589362
(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
CID 154702151
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
CID 3295389
N-cyclohexyl-6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 809077
6-bromo-N-cyclohexyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1154359
[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate
CID 42658953
6-bromo-2-(4-chlorophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine
CID 1154272
6-bromo-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 3670633
3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
CID 45268413
CID 46944507
CID 46944507
[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate
CID 4543708
6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 155528689

Frequently Asked Questions

What is the IUPAC name of [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The IUPAC name of [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate (CID 1195024) is [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate.
What is the SMILES notation for [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The canonical SMILES for [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate is CCC(=O)Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)c1.
What is the InChIKey of [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
The InChIKey is LKIFMOVTHYSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2/c1-2-20(27)28-18-10-6-7-15(13-18)21-22(24-17-8-4-3-5-9-17)26-14-16(23)11-12-19(26)25-21/h6-7,10-14,17,24H,2-5,8-9H2,1H3.
What are the key properties of [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate?
[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate has a molecular weight of 442.36 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate is sourced from PubChem (CID 1195024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).