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

C14H16N6O — CID 68761112

IUPAC2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnc3[nH]ccc3c2N2CCNCC2)o1
InChIInChI=1S/C14H16N6O/c1-9-18-19-14(21-9)11-8-17-13-10(2-3-16-13)12(11)20-6-4-15-5-7-20/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyGNJHIZHHTNDKHF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.33
Rot. Bonds2

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

2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole (PubChem CID 68761112) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole
PubChem CID68761112
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnc3[nH]ccc3c2N2CCNCC2)o1
InChIInChI=1S/C14H16N6O/c1-9-18-19-14(21-9)11-8-17-13-10(2-3-16-13)12(11)20-6-4-15-5-7-20/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyGNJHIZHHTNDKHF-UHFFFAOYSA-N
XLogP1.33
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

Bms-645737
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N-[(R)-cyclopropyl-(2-fluoro-3-pyridinyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136240264
N-[(R)-cyclopropyl(phenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
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N-(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22273633
6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
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N-[(3-Fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
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N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 135862901
methyl 6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]pyridine-3-carboxylate
CID 68027131
2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 2064549
N-methyl-5-[4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-1,3,4-oxadiazol-2-amine
CID 44449479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole (CID 68761112) is 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole is Cc1nnc(-c2cnc3[nH]ccc3c2N2CCNCC2)o1.
What is the InChIKey of 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole?
The InChIKey is GNJHIZHHTNDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-18-19-14(21-9)11-8-17-13-10(2-3-16-13)12(11)20-6-4-15-5-7-20/h2-3,8,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole?
2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 68761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).