[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone

C18H17N7O2S — CID 154845376

IUPAC[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1nnn2ccccc12)N1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C18H17N7O2S/c26-18(16-14-3-1-2-5-25(14)22-20-16)24-8-6-23(7-9-24)11-15-19-17(21-27-15)13-4-10-28-12-13/h1-5,10,12H,6-9,11H2
InChIKeyVUTGERVMPNMUJH-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.80
Rot. Bonds4

About [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone

[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 154845376) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID154845376
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone
SMILESO=C(c1nnn2ccccc12)N1CCN(Cc2nc(-c3ccsc3)no2)CC1
InChIInChI=1S/C18H17N7O2S/c26-18(16-14-3-1-2-5-25(14)22-20-16)24-8-6-23(7-9-24)11-15-19-17(21-27-15)13-4-10-28-12-13/h1-5,10,12H,6-9,11H2
InChIKeyVUTGERVMPNMUJH-UHFFFAOYSA-N
XLogP1.80
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

[3-(phenoxymethyl)furan-2-yl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30712110
(3-fluoro-4-methylphenyl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38220318
[(1S,2R)-2-methylcyclopropyl]-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 38219276
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 33034311
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30838578
1-[4-(2-phenylethyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18121593
1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 32533122
4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 24611509
3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 17392838
(R)-phenyl-[1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 51931966

Frequently Asked Questions

What is the IUPAC name of [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone (CID 154845376) is [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone is O=C(c1nnn2ccccc12)N1CCN(Cc2nc(-c3ccsc3)no2)CC1.
What is the InChIKey of [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is VUTGERVMPNMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c26-18(16-14-3-1-2-5-25(14)22-20-16)24-8-6-23(7-9-24)11-15-19-17(21-27-15)13-4-10-28-12-13/h1-5,10,12H,6-9,11H2.
What are the key properties of [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone?
[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 395.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(triazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 154845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).