2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole

C19H15N5O — CID 164946291

IUPAC2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2ccccc21
InChIInChI=1S/C19H15N5O/c1-23-10-14(12-6-3-4-8-16(12)23)18-21-22-19(25-18)15-11-24(2)17-13(15)7-5-9-20-17/h3-11H,1-2H3
InChIKeyXDENIKSHVVWCEH-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.78
Rot. Bonds2

About 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole

2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole (PubChem CID 164946291) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
PubChem CID164946291
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole
SMILESCn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2ccccc21
InChIInChI=1S/C19H15N5O/c1-23-10-14(12-6-3-4-8-16(12)23)18-21-22-19(25-18)15-11-24(2)17-13(15)7-5-9-20-17/h3-11H,1-2H3
InChIKeyXDENIKSHVVWCEH-UHFFFAOYSA-N
XLogP3.78
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole (CID 164946291) is 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole is Cn1cc(-c2nnc(-c3cn(C)c4ncccc34)o2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
The InChIKey is XDENIKSHVVWCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-23-10-14(12-6-3-4-8-16(12)23)18-21-22-19(25-18)15-11-24(2)17-13(15)7-5-9-20-17/h3-11H,1-2H3.
What are the key properties of 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole?
2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 164946291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).