[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate

C25H25N3O3S — CID 3536358

IUPAC[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
SMILESCOc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC(=O)c1cccs1
InChIInChI=1S/C25H25N3O3S/c1-30-20-16-17(12-13-19(20)31-25(29)21-10-7-15-32-21)23-24(26-18-8-3-2-4-9-18)28-14-6-5-11-22(28)27-23/h5-7,10-16,18,26H,2-4,8-9H2,1H3
InChIKeyAAPLKTVDIOTDFY-UHFFFAOYSA-N
MW447.56 g/mol
LogP6.04
Rot. Bonds6

About [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate

[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate (PubChem CID 3536358) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
PubChem CID3536358
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
SMILESCOc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC(=O)c1cccs1
InChIInChI=1S/C25H25N3O3S/c1-30-20-16-17(12-13-19(20)31-25(29)21-10-7-15-32-21)23-24(26-18-8-3-2-4-9-18)28-14-6-5-11-22(28)27-23/h5-7,10-16,18,26H,2-4,8-9H2,1H3
InChIKeyAAPLKTVDIOTDFY-UHFFFAOYSA-N
XLogP6.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate 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

[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 3537498
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 4001669
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3349972
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-chlorobutanoate
CID 42743741
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] furan-2-carboxylate
CID 3916477
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325
N-cyclopentyl-2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 162650595
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
6-chloro-N-cyclohexyl-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 3488126
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate (CID 3536358) is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate is COc1cc(-c2nc3ccccn3c2NC2CCCCC2)ccc1OC(=O)c1cccs1.
What is the InChIKey of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate?
The InChIKey is AAPLKTVDIOTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-30-20-16-17(12-13-19(20)31-25(29)21-10-7-15-32-21)23-24(26-18-8-3-2-4-9-18)28-14-6-5-11-22(28)27-23/h5-7,10-16,18,26H,2-4,8-9H2,1H3.
What are the key properties of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate?
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate has a molecular weight of 447.56 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate is sourced from PubChem (CID 3536358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).