N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

C25H26FN5O2 — CID 24784583

IUPACN-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CCOc1cccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)c1
InChIInChI=1S/C25H26FN5O2/c1-31(2)14-15-33-20-5-3-4-17(16-20)10-12-28-25(32)21-11-13-27-24-22(21)29-23(30-24)18-6-8-19(26)9-7-18/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyZTIRUECFCOIXLA-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.68
Rot. Bonds9

About N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide

N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 24784583) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID24784583
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC NameN-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCN(C)CCOc1cccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)c1
InChIInChI=1S/C25H26FN5O2/c1-31(2)14-15-33-20-5-3-4-17(16-20)10-12-28-25(32)21-11-13-27-24-22(21)29-23(30-24)18-6-8-19(26)9-7-18/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyZTIRUECFCOIXLA-UHFFFAOYSA-N
XLogP3.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 24784583) is N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is CN(C)CCOc1cccc(CCNC(=O)c2ccnc3nc(-c4ccc(F)cc4)[nH]c23)c1.
What is the InChIKey of N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is ZTIRUECFCOIXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-31(2)14-15-33-20-5-3-4-17(16-20)10-12-28-25(32)21-11-13-27-24-22(21)29-23(30-24)18-6-8-19(26)9-7-18/h3-9,11,13,16H,10,12,14-15H2,1-2H3,(H,28,32)(H,27,29,30).
What are the key properties of N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide?
N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 24784583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).