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

C22H17ClFN7O — CID 25261066

IUPAC5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cccc2Cl)o1
InChIInChI=1S/C22H17ClFN7O/c1-12-6-3-8-14(23)17(12)27-19-18(28-21-26-10-5-11-31(19)21)16-13(7-4-9-15(16)24)20-29-30-22(25-2)32-20/h3-11,27H,1-2H3,(H,25,30)
InChIKeyQCQRLOWAYOTZBN-UHFFFAOYSA-N
MW449.88 g/mol
LogP5.33
Rot. Bonds5

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

5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 25261066) has the molecular formula C22H17ClFN7O and a molecular weight of 449.88 g/mol. Its IUPAC name is 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID25261066
Molecular FormulaC22H17ClFN7O
Molecular Weight449.88 g/mol
Exact Mass449.12
IUPAC Name5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cccc2Cl)o1
InChIInChI=1S/C22H17ClFN7O/c1-12-6-3-8-14(23)17(12)27-19-18(28-21-26-10-5-11-31(19)21)16-13(7-4-9-15(16)24)20-29-30-22(25-2)32-20/h3-11,27H,1-2H3,(H,25,30)
InChIKeyQCQRLOWAYOTZBN-UHFFFAOYSA-N
XLogP5.33
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.88
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 25261066) is 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(-c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cccc2Cl)o1.
What is the InChIKey of 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QCQRLOWAYOTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN7O/c1-12-6-3-8-14(23)17(12)27-19-18(28-21-26-10-5-11-31(19)21)16-13(7-4-9-15(16)24)20-29-30-22(25-2)32-20/h3-11,27H,1-2H3,(H,25,30).
What are the key properties of 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 449.88 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2-chloro-6-methylanilino)imidazo[1,2-a]pyrimidin-2-yl]-3-fluorophenyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25261066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).