3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide

C16H17ClN6O2 — CID 70796135

IUPAC3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2nc(-c3cnc4[nH]ccc4c3Cl)no2)C1
InChIInChI=1S/C16H17ClN6O2/c1-23-6-2-3-9(8-23)20-15(24)16-21-14(22-25-16)11-7-19-13-10(12(11)17)4-5-18-13/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)(H,20,24)
InChIKeyBWBSMUCGRYPGRC-UHFFFAOYSA-N
MW360.81 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide

3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 70796135) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID70796135
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCN1CCCC(NC(=O)c2nc(-c3cnc4[nH]ccc4c3Cl)no2)C1
InChIInChI=1S/C16H17ClN6O2/c1-23-6-2-3-9(8-23)20-15(24)16-21-14(22-25-16)11-7-19-13-10(12(11)17)4-5-18-13/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)(H,20,24)
InChIKeyBWBSMUCGRYPGRC-UHFFFAOYSA-N
XLogP2.09
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide (CID 70796135) is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide is CN1CCCC(NC(=O)c2nc(-c3cnc4[nH]ccc4c3Cl)no2)C1.
What is the InChIKey of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BWBSMUCGRYPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2/c1-23-6-2-3-9(8-23)20-15(24)16-21-14(22-25-16)11-7-19-13-10(12(11)17)4-5-18-13/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)(H,20,24).
What are the key properties of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide?
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 360.81 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 70796135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).