2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C22H24N6O — CID 134032568

IUPAC2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(c1nnc(-c2ccccc2)o1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H24N6O/c1-17(21-24-25-22(29-21)18-7-3-2-4-8-18)27-13-11-26(12-14-27)15-19-16-28-10-6-5-9-20(28)23-19/h2-10,16-17H,11-15H2,1H3
InChIKeyGMBDNVDIMJWUBT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 134032568) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID134032568
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(c1nnc(-c2ccccc2)o1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H24N6O/c1-17(21-24-25-22(29-21)18-7-3-2-4-8-18)27-13-11-26(12-14-27)15-19-16-28-10-6-5-9-20(28)23-19/h2-10,16-17H,11-15H2,1H3
InChIKeyGMBDNVDIMJWUBT-UHFFFAOYSA-N
XLogP3.26
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
2-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 134011384
2-(4-fluorophenyl)-5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78836240
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
2-[1-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 17408693
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
(2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 92764804
2-(4-fluorophenyl)-5-[(1R)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 30637072
2-[(1S)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40939270
2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 25346846
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 92766789

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 134032568) is 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is CC(c1nnc(-c2ccccc2)o1)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GMBDNVDIMJWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17(21-24-25-22(29-21)18-7-3-2-4-8-18)27-13-11-26(12-14-27)15-19-16-28-10-6-5-9-20(28)23-19/h2-10,16-17H,11-15H2,1H3.
What are the key properties of 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 388.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 134032568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).