2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide

C14H18N8O3S — CID 11463071

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide
SMILESCCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)NC3CCNC3)c21
InChIInChI=1S/C14H18N8O3S/c1-2-22-12-9(18-14(22)11-13(15)20-25-19-11)6-17-7-10(12)26(23,24)21-8-3-4-16-5-8/h6-8,16,21H,2-5H2,1H3,(H2,15,20)
InChIKeyOGCNAWCDRVLRBS-UHFFFAOYSA-N
MW378.42 g/mol
LogP-0.28
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide (PubChem CID 11463071) has the molecular formula C14H18N8O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide
PubChem CID11463071
Molecular FormulaC14H18N8O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide
SMILESCCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)NC3CCNC3)c21
InChIInChI=1S/C14H18N8O3S/c1-2-22-12-9(18-14(22)11-13(15)20-25-19-11)6-17-7-10(12)26(23,24)21-8-3-4-16-5-8/h6-8,16,21H,2-5H2,1H3,(H2,15,20)
InChIKeyOGCNAWCDRVLRBS-UHFFFAOYSA-N
XLogP-0.28
TPSA153.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide (CID 11463071) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide is CCn1c(-c2nonc2N)nc2cncc(S(=O)(=O)NC3CCNC3)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide?
The InChIKey is OGCNAWCDRVLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O3S/c1-2-22-12-9(18-14(22)11-13(15)20-25-19-11)6-17-7-10(12)26(23,24)21-8-3-4-16-5-8/h6-8,16,21H,2-5H2,1H3,(H2,15,20).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide has a molecular weight of 378.42 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-sulfonamide is sourced from PubChem (CID 11463071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).