2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine

C28H33ClN4O2 — CID 164624281

IUPAC2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl
InChIInChI=1S/C28H33ClN4O2/c1-18-27(19(2)35-32-18)21-14-15-33-26(17-21)31-24(28(33)30-22-9-5-4-6-10-22)11-7-8-20-12-13-25(34-3)23(29)16-20/h12-17,22,30H,4-11H2,1-3H3
InChIKeyMSXFEKLSWSNPJW-UHFFFAOYSA-N
MW493.05 g/mol
LogP7.19
Rot. Bonds8

About 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine

2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 164624281) has the molecular formula C28H33ClN4O2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID164624281
Molecular FormulaC28H33ClN4O2
Molecular Weight493.05 g/mol
Exact Mass492.23
IUPAC Name2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl
InChIInChI=1S/C28H33ClN4O2/c1-18-27(19(2)35-32-18)21-14-15-33-26(17-21)31-24(28(33)30-22-9-5-4-6-10-22)11-7-8-20-12-13-25(34-3)23(29)16-20/h12-17,22,30H,4-11H2,1-3H3
InChIKeyMSXFEKLSWSNPJW-UHFFFAOYSA-N
XLogP7.19
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine (CID 164624281) is 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine is COc1ccc(CCCc2nc3cc(-c4c(C)noc4C)ccn3c2NC2CCCCC2)cc1Cl.
What is the InChIKey of 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is MSXFEKLSWSNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN4O2/c1-18-27(19(2)35-32-18)21-14-15-33-26(17-21)31-24(28(33)30-22-9-5-4-6-10-22)11-7-8-20-12-13-25(34-3)23(29)16-20/h12-17,22,30H,4-11H2,1-3H3.
What are the key properties of 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 493.05 g/mol, XLogP of 7.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methoxyphenyl)propyl]-N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 164624281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).