5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine

C24H20ClFN6O — CID 25057522

IUPAC5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cc(Cl)ccc2-c2nc3ccc(F)cn3c2Nc2c(C)cccc2C)o1
InChIInChI=1S/C24H20ClFN6O/c1-13-5-4-6-14(2)20(13)29-22-21(28-19-10-8-16(26)12-32(19)22)17-9-7-15(25)11-18(17)23-30-31-24(27-3)33-23/h4-12,29H,1-3H3,(H,27,31)
InChIKeyPOVLNEKSZDAWLG-UHFFFAOYSA-N
MW462.92 g/mol
LogP6.25
Rot. Bonds5

About 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine

5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 25057522) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID25057522
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC Name5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2cc(Cl)ccc2-c2nc3ccc(F)cn3c2Nc2c(C)cccc2C)o1
InChIInChI=1S/C24H20ClFN6O/c1-13-5-4-6-14(2)20(13)29-22-21(28-19-10-8-16(26)12-32(19)22)17-9-7-15(25)11-18(17)23-30-31-24(27-3)33-23/h4-12,29H,1-3H3,(H,27,31)
InChIKeyPOVLNEKSZDAWLG-UHFFFAOYSA-N
XLogP6.25
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.92
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 25057522) is 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(-c2cc(Cl)ccc2-c2nc3ccc(F)cn3c2Nc2c(C)cccc2C)o1.
What is the InChIKey of 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is POVLNEKSZDAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c1-13-5-4-6-14(2)20(13)29-22-21(28-19-10-8-16(26)12-32(19)22)17-9-7-15(25)11-18(17)23-30-31-24(27-3)33-23/h4-12,29H,1-3H3,(H,27,31).
What are the key properties of 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine?
5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 462.92 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 25057522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).