N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C25H24FN3O3 — CID 16613165

IUPACN-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)NCCCOc4ccccc4F)cc3)nc12
InChIInChI=1S/C25H24FN3O3/c1-18-6-4-14-29-16-20(28-24(18)29)17-32-21-11-9-19(10-12-21)25(30)27-13-5-15-31-23-8-3-2-7-22(23)26/h2-4,6-12,14,16H,5,13,15,17H2,1H3,(H,27,30)
InChIKeyNIGRFDDVSIQKFM-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.56
Rot. Bonds9

About N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 16613165) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID16613165
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCc1cccn2cc(COc3ccc(C(=O)NCCCOc4ccccc4F)cc3)nc12
InChIInChI=1S/C25H24FN3O3/c1-18-6-4-14-29-16-20(28-24(18)29)17-32-21-11-9-19(10-12-21)25(30)27-13-5-15-31-23-8-3-2-7-22(23)26/h2-4,6-12,14,16H,5,13,15,17H2,1H3,(H,27,30)
InChIKeyNIGRFDDVSIQKFM-UHFFFAOYSA-N
XLogP4.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 16613165) is N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccc(C(=O)NCCCOc4ccccc4F)cc3)nc12.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is NIGRFDDVSIQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-18-6-4-14-29-16-20(28-24(18)29)17-32-21-11-9-19(10-12-21)25(30)27-13-5-15-31-23-8-3-2-7-22(23)26/h2-4,6-12,14,16H,5,13,15,17H2,1H3,(H,27,30).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 433.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 16613165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).