2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol

C21H25N7O3 — CID 11327693

IUPAC2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCO)c21
InChIInChI=1S/C21H25N7O3/c1-2-28-19-15(30-12-6-9-23-10-11-29)13-24-16(14-7-4-3-5-8-14)17(19)25-21(28)18-20(22)27-31-26-18/h3-5,7-8,13,23,29H,2,6,9-12H2,1H3,(H2,22,27)
InChIKeyPNLOXGFEAVUBAB-UHFFFAOYSA-N
MW423.48 g/mol
LogP2.10
Rot. Bonds10

About 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol

2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol (PubChem CID 11327693) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol.

Molecular Properties

Compound Name2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol
PubChem CID11327693
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCO)c21
InChIInChI=1S/C21H25N7O3/c1-2-28-19-15(30-12-6-9-23-10-11-29)13-24-16(14-7-4-3-5-8-14)17(19)25-21(28)18-20(22)27-31-26-18/h3-5,7-8,13,23,29H,2,6,9-12H2,1H3,(H2,22,27)
InChIKeyPNLOXGFEAVUBAB-UHFFFAOYSA-N
XLogP2.10
TPSA137.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol?
The IUPAC name of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol (CID 11327693) is 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol.
What is the SMILES notation for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol?
The canonical SMILES for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCNCCO)c21.
What is the InChIKey of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol?
The InChIKey is PNLOXGFEAVUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-2-28-19-15(30-12-6-9-23-10-11-29)13-24-16(14-7-4-3-5-8-14)17(19)25-21(28)18-20(22)27-31-26-18/h3-5,7-8,13,23,29H,2,6,9-12H2,1H3,(H2,22,27).
What are the key properties of 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol?
2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol has a molecular weight of 423.48 g/mol, XLogP of 2.10, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol is sourced from PubChem (CID 11327693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).