3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole

C14H16N6O — CID 167823064

IUPAC3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc2c(Cc3nc(N4CCNCC4)no3)c[nH]c2cn1
InChIInChI=1S/C14H16N6O/c1-2-16-9-12-11(1)10(8-17-12)7-13-18-14(19-21-13)20-5-3-15-4-6-20/h1-2,8-9,15,17H,3-7H2
InChIKeyIHGOXXCWGWAMAH-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.95
Rot. Bonds3

About 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole

3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167823064) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID167823064
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc2c(Cc3nc(N4CCNCC4)no3)c[nH]c2cn1
InChIInChI=1S/C14H16N6O/c1-2-16-9-12-11(1)10(8-17-12)7-13-18-14(19-21-13)20-5-3-15-4-6-20/h1-2,8-9,15,17H,3-7H2
InChIKeyIHGOXXCWGWAMAH-UHFFFAOYSA-N
XLogP0.95
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(4-chloro-3-methoxyphenyl)methyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167848035
2-piperazin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 175939042
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
8-piperazin-1-ylisoquinoline
CID 21070960
5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
CID 118721831
3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166304795
5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
CID 100690024
3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 118722142
CID 155716847
CID 155716847
1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
CID 52982877
5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 69243263

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole (CID 167823064) is 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole is c1cc2c(Cc3nc(N4CCNCC4)no3)c[nH]c2cn1.
What is the InChIKey of 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IHGOXXCWGWAMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-16-9-12-11(1)10(8-17-12)7-13-18-14(19-21-13)20-5-3-15-4-6-20/h1-2,8-9,15,17H,3-7H2.
What are the key properties of 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole?
3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167823064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).