2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide

C20H30N8O2 — CID 69179072

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccnc2nc(-c3nonc3N)n(CC)c12
InChIInChI=1S/C20H30N8O2/c1-5-27(6-2)12-8-9-13(4)23-20(29)14-10-11-22-18-16(14)28(7-3)19(24-18)15-17(21)26-30-25-15/h10-11,13H,5-9,12H2,1-4H3,(H2,21,26)(H,23,29)
InChIKeyCHFYOGSOGJRXBE-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.32
Rot. Bonds10

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 69179072) has the molecular formula C20H30N8O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide
PubChem CID69179072
Molecular FormulaC20H30N8O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1ccnc2nc(-c3nonc3N)n(CC)c12
InChIInChI=1S/C20H30N8O2/c1-5-27(6-2)12-8-9-13(4)23-20(29)14-10-11-22-18-16(14)28(7-3)19(24-18)15-17(21)26-30-25-15/h10-11,13H,5-9,12H2,1-4H3,(H2,21,26)(H,23,29)
InChIKeyCHFYOGSOGJRXBE-UHFFFAOYSA-N
XLogP2.32
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide (CID 69179072) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide is CCN(CC)CCCC(C)NC(=O)c1ccnc2nc(-c3nonc3N)n(CC)c12.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is CHFYOGSOGJRXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2/c1-5-27(6-2)12-8-9-13(4)23-20(29)14-10-11-22-18-16(14)28(7-3)19(24-18)15-17(21)26-30-25-15/h10-11,13H,5-9,12H2,1-4H3,(H2,21,26)(H,23,29).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[5-(diethylamino)pentan-2-yl]-1-ethylimidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 69179072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).