4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline

C23H24FN5 — CID 68546216

IUPAC4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline
SMILESCCN(CC)Cc1cc(-c2ccn3c(-c4ccc(N)c(F)c4)cnc3c2)ccn1
InChIInChI=1S/C23H24FN5/c1-3-28(4-2)15-19-11-16(7-9-26-19)17-8-10-29-22(14-27-23(29)13-17)18-5-6-21(25)20(24)12-18/h5-14H,3-4,15,25H2,1-2H3
InChIKeyQRAHEUCWBYTFII-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.63
Rot. Bonds6

About 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline

4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline (PubChem CID 68546216) has the molecular formula C23H24FN5 and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline
PubChem CID68546216
Molecular FormulaC23H24FN5
Molecular Weight389.48 g/mol
Exact Mass389.20
IUPAC Name4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline
SMILESCCN(CC)Cc1cc(-c2ccn3c(-c4ccc(N)c(F)c4)cnc3c2)ccn1
InChIInChI=1S/C23H24FN5/c1-3-28(4-2)15-19-11-16(7-9-26-19)17-8-10-29-22(14-27-23(29)13-17)18-5-6-21(25)20(24)12-18/h5-14H,3-4,15,25H2,1-2H3
InChIKeyQRAHEUCWBYTFII-UHFFFAOYSA-N
XLogP4.63
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline?
The IUPAC name of 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline (CID 68546216) is 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline.
What is the SMILES notation for 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline?
The canonical SMILES for 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline is CCN(CC)Cc1cc(-c2ccn3c(-c4ccc(N)c(F)c4)cnc3c2)ccn1.
What is the InChIKey of 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline?
The InChIKey is QRAHEUCWBYTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5/c1-3-28(4-2)15-19-11-16(7-9-26-19)17-8-10-29-22(14-27-23(29)13-17)18-5-6-21(25)20(24)12-18/h5-14H,3-4,15,25H2,1-2H3.
What are the key properties of 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline?
4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline has a molecular weight of 389.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(diethylaminomethyl)-4-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-fluoroaniline is sourced from PubChem (CID 68546216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).