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

C22H17ClN6O — CID 162655321

IUPAC5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)nc2)o1
InChIInChI=1S/C22H17ClN6O/c1-28(13-15-6-9-20-24-10-11-29(20)14-15)22-27-26-21(30-22)16-7-8-19(25-12-16)17-4-2-3-5-18(17)23/h2-12,14H,13H2,1H3
InChIKeyCEOXRJAZIAZMHI-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.74
Rot. Bonds5

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

5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 162655321) has the molecular formula C22H17ClN6O and a molecular weight of 416.87 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID162655321
Molecular FormulaC22H17ClN6O
Molecular Weight416.87 g/mol
Exact Mass416.12
IUPAC Name5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)nc2)o1
InChIInChI=1S/C22H17ClN6O/c1-28(13-15-6-9-20-24-10-11-29(20)14-15)22-27-26-21(30-22)16-7-8-19(25-12-16)17-4-2-3-5-18(17)23/h2-12,14H,13H2,1H3
InChIKeyCEOXRJAZIAZMHI-UHFFFAOYSA-N
XLogP4.74
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 162655321) is 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CN(Cc1ccc2nccn2c1)c1nnc(-c2ccc(-c3ccccc3Cl)nc2)o1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CEOXRJAZIAZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O/c1-28(13-15-6-9-20-24-10-11-29(20)14-15)22-27-26-21(30-22)16-7-8-19(25-12-16)17-4-2-3-5-18(17)23/h2-12,14H,13H2,1H3.
What are the key properties of 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 416.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)-3-pyridinyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162655321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).