5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine

C24H21Cl2N7O3 — CID 25262943

IUPAC5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C24H21Cl2N7O3/c1-4-27-24-32-31-22(36-24)14-11-13(34-2)12-17(35-3)18(14)20-21(33-10-6-9-28-23(33)30-20)29-19-15(25)7-5-8-16(19)26/h5-12,29H,4H2,1-3H3,(H,27,32)
InChIKeyDLSQUPWXBMXAES-UHFFFAOYSA-N
MW526.38 g/mol
LogP5.95
Rot. Bonds8

About 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine

5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine (PubChem CID 25262943) has the molecular formula C24H21Cl2N7O3 and a molecular weight of 526.38 g/mol. Its IUPAC name is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine
PubChem CID25262943
Molecular FormulaC24H21Cl2N7O3
Molecular Weight526.38 g/mol
Exact Mass525.11
IUPAC Name5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine
SMILESCCNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C24H21Cl2N7O3/c1-4-27-24-32-31-22(36-24)14-11-13(34-2)12-17(35-3)18(14)20-21(33-10-6-9-28-23(33)30-20)29-19-15(25)7-5-8-16(19)26/h5-12,29H,4H2,1-3H3,(H,27,32)
InChIKeyDLSQUPWXBMXAES-UHFFFAOYSA-N
XLogP5.95
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.38
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-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 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine (CID 25262943) is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine is CCNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)o1.
What is the InChIKey of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
The InChIKey is DLSQUPWXBMXAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N7O3/c1-4-27-24-32-31-22(36-24)14-11-13(34-2)12-17(35-3)18(14)20-21(33-10-6-9-28-23(33)30-20)29-19-15(25)7-5-8-16(19)26/h5-12,29H,4H2,1-3H3,(H,27,32).
What are the key properties of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine has a molecular weight of 526.38 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-ethyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25262943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).