5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C17H12ClF3N6O — CID 162676370

IUPAC5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc2nccn2c1)c1nnc(-c2ncc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C17H12ClF3N6O/c1-26(8-10-2-3-13-22-4-5-27(13)9-10)16-25-24-15(28-16)14-12(18)6-11(7-23-14)17(19,20)21/h2-7,9H,8H2,1H3
InChIKeyFUTGIFIXXKZMMU-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.09
Rot. Bonds4

About 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 162676370) has the molecular formula C17H12ClF3N6O and a molecular weight of 408.77 g/mol. Its IUPAC name is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID162676370
Molecular FormulaC17H12ClF3N6O
Molecular Weight408.77 g/mol
Exact Mass408.07
IUPAC Name5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc2nccn2c1)c1nnc(-c2ncc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C17H12ClF3N6O/c1-26(8-10-2-3-13-22-4-5-27(13)9-10)16-25-24-15(28-16)14-12(18)6-11(7-23-14)17(19,20)21/h2-7,9H,8H2,1H3
InChIKeyFUTGIFIXXKZMMU-UHFFFAOYSA-N
XLogP4.09
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 162676370) is 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(Cc1ccc2nccn2c1)c1nnc(-c2ncc(C(F)(F)F)cc2Cl)o1.
What is the InChIKey of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FUTGIFIXXKZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O/c1-26(8-10-2-3-13-22-4-5-27(13)9-10)16-25-24-15(28-16)14-12(18)6-11(7-23-14)17(19,20)21/h2-7,9H,8H2,1H3.
What are the key properties of 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 408.77 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162676370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).