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

C24H23N3O2S — CID 4001669

IUPAC[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C24H23N3O2S/c28-24(20-9-6-16-30-20)29-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)27-15-5-4-10-21(27)26-22/h4-6,9-16,18,25H,1-3,7-8H2
InChIKeyAIYLKUFEWYPHOH-UHFFFAOYSA-N
MW417.53 g/mol
LogP6.03
Rot. Bonds5

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

[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate (PubChem CID 4001669) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
PubChem CID4001669
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1
InChIInChI=1S/C24H23N3O2S/c28-24(20-9-6-16-30-20)29-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)27-15-5-4-10-21(27)26-22/h4-6,9-16,18,25H,1-3,7-8H2
InChIKeyAIYLKUFEWYPHOH-UHFFFAOYSA-N
XLogP6.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3536358
N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692
[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]benzonitrile
CID 45255135
[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-methoxyphenol
CID 861991
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-chlorobutanoate
CID 42743741
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510
(4-methylphenyl) N-[4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]carbamate
CID 154702151
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 3693521

Frequently Asked Questions

What is the IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate (CID 4001669) is [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate is O=C(Oc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1.
What is the InChIKey of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate?
The InChIKey is AIYLKUFEWYPHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-24(20-9-6-16-30-20)29-19-13-11-17(12-14-19)22-23(25-18-7-2-1-3-8-18)27-15-5-4-10-21(27)26-22/h4-6,9-16,18,25H,1-3,7-8H2.
What are the key properties of [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate?
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate has a molecular weight of 417.53 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 4001669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).