2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine

C23H21F2N7O — CID 67544452

IUPAC2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine
SMILESCC1=NNC(N)(c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cc(F)cc2C)O1
InChIInChI=1S/C23H21F2N7O/c1-12-10-15(24)11-13(2)19(12)28-21-20(29-22-27-8-5-9-32(21)22)18-16(6-4-7-17(18)25)23(26)31-30-14(3)33-23/h4-11,28,31H,26H2,1-3H3
InChIKeyULNRCDIVKSMHHE-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.06
Rot. Bonds4

About 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine

2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine (PubChem CID 67544452) has the molecular formula C23H21F2N7O and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine
PubChem CID67544452
Molecular FormulaC23H21F2N7O
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine
SMILESCC1=NNC(N)(c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cc(F)cc2C)O1
InChIInChI=1S/C23H21F2N7O/c1-12-10-15(24)11-13(2)19(12)28-21-20(29-22-27-8-5-9-32(21)22)18-16(6-4-7-17(18)25)23(26)31-30-14(3)33-23/h4-11,28,31H,26H2,1-3H3
InChIKeyULNRCDIVKSMHHE-UHFFFAOYSA-N
XLogP4.06
TPSA101.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-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 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine?
The IUPAC name of 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine (CID 67544452) is 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine is CC1=NNC(N)(c2cccc(F)c2-c2nc3ncccn3c2Nc2c(C)cc(F)cc2C)O1.
What is the InChIKey of 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine?
The InChIKey is ULNRCDIVKSMHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O/c1-12-10-15(24)11-13(2)19(12)28-21-20(29-22-27-8-5-9-32(21)22)18-16(6-4-7-17(18)25)23(26)31-30-14(3)33-23/h4-11,28,31H,26H2,1-3H3.
What are the key properties of 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine?
2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine has a molecular weight of 449.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-[3-(4-fluoro-2,6-dimethylanilino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]-5-methyl-3H-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 67544452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).