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

C24H21Cl2N7O3 — CID 25260909

IUPAC5-[2-[3-(2,6-dichloro-3-methylanilino)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)ccc(C)c2Cl)o1
InChIInChI=1S/C24H21Cl2N7O3/c1-12-6-7-15(25)19(18(12)26)29-21-20(30-23-28-8-5-9-33(21)23)17-14(22-31-32-24(27-2)36-22)10-13(34-3)11-16(17)35-4/h5-11,29H,1-4H3,(H,27,32)
InChIKeyMJQAGMISSPQWQD-UHFFFAOYSA-N
MW526.38 g/mol
LogP5.86
Rot. Bonds7

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

5-[2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 25260909) has the molecular formula C24H21Cl2N7O3 and a molecular weight of 526.38 g/mol. Its IUPAC name is 5-[2-[3-(2,6-dichloro-3-methylanilino)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-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID25260909
Molecular FormulaC24H21Cl2N7O3
Molecular Weight526.38 g/mol
Exact Mass525.11
IUPAC Name5-[2-[3-(2,6-dichloro-3-methylanilino)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)ccc(C)c2Cl)o1
InChIInChI=1S/C24H21Cl2N7O3/c1-12-6-7-15(25)19(18(12)26)29-21-20(30-23-28-8-5-9-33(21)23)17-14(22-31-32-24(27-2)36-22)10-13(34-3)11-16(17)35-4/h5-11,29H,1-4H3,(H,27,32)
InChIKeyMJQAGMISSPQWQD-UHFFFAOYSA-N
XLogP5.86
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.38
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[3-(2,6-dichloro-3-methylanilino)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-3-methylanilino)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-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 25260909) is 5-[2-[3-(2,6-dichloro-3-methylanilino)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-3-methylanilino)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-3-methylanilino)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)ccc(C)c2Cl)o1.
What is the InChIKey of 5-[2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is MJQAGMISSPQWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N7O3/c1-12-6-7-15(25)19(18(12)26)29-21-20(30-23-28-8-5-9-33(21)23)17-14(22-31-32-24(27-2)36-22)10-13(34-3)11-16(17)35-4/h5-11,29H,1-4H3,(H,27,32).
What are the key properties of 5-[2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(2,6-dichloro-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 526.38 g/mol, XLogP of 5.86, 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-3-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25260909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).