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

C23H19Cl2N7O3 — CID 25230471

IUPAC5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C23H19Cl2N7O3/c1-26-23-31-30-21(35-23)13-10-12(33-2)11-16(34-3)17(13)19-20(32-9-5-8-27-22(32)29-19)28-18-14(24)6-4-7-15(18)25/h4-11,28H,1-3H3,(H,26,31)
InChIKeyFPBRUUBVPMXNOQ-UHFFFAOYSA-N
MW512.36 g/mol
LogP5.56
Rot. Bonds7

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

5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 25230471) has the molecular formula C23H19Cl2N7O3 and a molecular weight of 512.36 g/mol. Its IUPAC name is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-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-methyl-1,3,4-oxadiazol-2-amine
PubChem CID25230471
Molecular FormulaC23H19Cl2N7O3
Molecular Weight512.36 g/mol
Exact Mass511.09
IUPAC Name5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cc(OC)cc(OC)c2-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)o1
InChIInChI=1S/C23H19Cl2N7O3/c1-26-23-31-30-21(35-23)13-10-12(33-2)11-16(34-3)17(13)19-20(32-9-5-8-27-22(32)29-19)28-18-14(24)6-4-7-15(18)25/h4-11,28H,1-3H3,(H,26,31)
InChIKeyFPBRUUBVPMXNOQ-UHFFFAOYSA-N
XLogP5.56
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.36
LogP ≤ 55.56
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-methyl-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-methyl-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-methyl-1,3,4-oxadiazol-2-amine (CID 25230471) is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-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-methyl-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-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(-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-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FPBRUUBVPMXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N7O3/c1-26-23-31-30-21(35-23)13-10-12(33-2)11-16(34-3)17(13)19-20(32-9-5-8-27-22(32)29-19)28-18-14(24)6-4-7-15(18)25/h4-11,28H,1-3H3,(H,26,31).
What are the key properties of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 512.36 g/mol, XLogP of 5.56, 7 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-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25230471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).