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

C29H26BrN3O3S — CID 4543708

IUPAC[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H26BrN3O3S/c30-22-15-17-27-32-28(29(33(27)19-22)31-23-10-2-1-3-11-23)25-12-6-7-13-26(25)36-37(34,35)24-16-14-20-8-4-5-9-21(20)18-24/h4-9,12-19,23,31H,1-3,10-11H2
InChIKeyXENAOAVDPZUBQB-UHFFFAOYSA-N
MW576.52 g/mol
LogP7.43
Rot. Bonds6

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

[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate (PubChem CID 4543708) has the molecular formula C29H26BrN3O3S and a molecular weight of 576.52 g/mol. Its IUPAC name is [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate.

Molecular Properties

Compound Name[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate
PubChem CID4543708
Molecular FormulaC29H26BrN3O3S
Molecular Weight576.52 g/mol
Exact Mass575.09
IUPAC Name[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H26BrN3O3S/c30-22-15-17-27-32-28(29(33(27)19-22)31-23-10-2-1-3-11-23)25-12-6-7-13-26(25)36-37(34,35)24-16-14-20-8-4-5-9-21(20)18-24/h4-9,12-19,23,31H,1-3,10-11H2
InChIKeyXENAOAVDPZUBQB-UHFFFAOYSA-N
XLogP7.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.52
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3904263
[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-butylbenzoate
CID 42658953
6-bromo-N-cyclohexyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 1154359
6-bromo-N-cyclohexyl-2-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 4589362
3-[6-bromo-3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]-2-chlorophenol
CID 45268413
[3-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] propanoate
CID 1195024
6-bromo-2-(4-chlorophenyl)-N-cyclopentylimidazo[1,2-a]pyridin-3-amine
CID 1154272
CID 46944507
CID 46944507
6-bromo-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 3670633
2-[[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 4130144
6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 155528689
[2-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] phenylmethanesulfonate
CID 3557743

Frequently Asked Questions

What is the IUPAC name of [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate?
The IUPAC name of [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate (CID 4543708) is [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate.
What is the SMILES notation for [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate?
The canonical SMILES for [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate is O=S(=O)(Oc1ccccc1-c1nc2ccc(Br)cn2c1NC1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate?
The InChIKey is XENAOAVDPZUBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrN3O3S/c30-22-15-17-27-32-28(29(33(27)19-22)31-23-10-2-1-3-11-23)25-12-6-7-13-26(25)36-37(34,35)24-16-14-20-8-4-5-9-21(20)18-24/h4-9,12-19,23,31H,1-3,10-11H2.
What are the key properties of [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate?
[2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate has a molecular weight of 576.52 g/mol, XLogP of 7.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] naphthalene-2-sulfonate is sourced from PubChem (CID 4543708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).