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

C23H18Cl2FN7O3 — CID 25262941

IUPAC5-[2-[3-(2,6-dichloro-4-fluoroanilino)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)cc(F)cc2Cl)o1
InChIInChI=1S/C23H18Cl2FN7O3/c1-27-23-32-31-21(36-23)13-9-12(34-2)10-16(35-3)17(13)19-20(33-6-4-5-28-22(33)30-19)29-18-14(24)7-11(26)8-15(18)25/h4-10,29H,1-3H3,(H,27,32)
InChIKeyMQZGYCUPLXTGGJ-UHFFFAOYSA-N
MW530.35 g/mol
LogP5.69
Rot. Bonds7

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

5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 25262941) has the molecular formula C23H18Cl2FN7O3 and a molecular weight of 530.35 g/mol. Its IUPAC name is 5-[2-[3-(2,6-dichloro-4-fluoroanilino)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-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID25262941
Molecular FormulaC23H18Cl2FN7O3
Molecular Weight530.35 g/mol
Exact Mass529.08
IUPAC Name5-[2-[3-(2,6-dichloro-4-fluoroanilino)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)cc(F)cc2Cl)o1
InChIInChI=1S/C23H18Cl2FN7O3/c1-27-23-32-31-21(36-23)13-9-12(34-2)10-16(35-3)17(13)19-20(33-6-4-5-28-22(33)30-19)29-18-14(24)7-11(26)8-15(18)25/h4-10,29H,1-3H3,(H,27,32)
InChIKeyMQZGYCUPLXTGGJ-UHFFFAOYSA-N
XLogP5.69
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.35
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2,6-dichloro-4-fluoroanilino)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-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 25262941) is 5-[2-[3-(2,6-dichloro-4-fluoroanilino)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-dichloro-4-fluoroanilino)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-dichloro-4-fluoroanilino)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)cc(F)cc2Cl)o1.
What is the InChIKey of 5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MQZGYCUPLXTGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN7O3/c1-27-23-32-31-21(36-23)13-9-12(34-2)10-16(35-3)17(13)19-20(33-6-4-5-28-22(33)30-19)29-18-14(24)7-11(26)8-15(18)25/h4-10,29H,1-3H3,(H,27,32).
What are the key properties of 5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(2,6-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 530.35 g/mol, XLogP of 5.69, 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-dichloro-4-fluoroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25262941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).