4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline

C20H26N4 — CID 19385717

IUPAC4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
SMILESCCCNc1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1
InChIInChI=1S/C20H26N4/c1-5-11-21-17-9-7-16(8-10-17)13-24-18(6-2)23-19-14(3)12-15(4)22-20(19)24/h7-10,12,21H,5-6,11,13H2,1-4H3
InChIKeyJXQQSPORZWCYEZ-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.48
Rot. Bonds6

About 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline

4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline (PubChem CID 19385717) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline.

Molecular Properties

Compound Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
PubChem CID19385717
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
SMILESCCCNc1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1
InChIInChI=1S/C20H26N4/c1-5-11-21-17-9-7-16(8-10-17)13-24-18(6-2)23-19-14(3)12-15(4)22-20(19)24/h7-10,12,21H,5-6,11,13H2,1-4H3
InChIKeyJXQQSPORZWCYEZ-UHFFFAOYSA-N
XLogP4.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline 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-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline?
The IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline (CID 19385717) is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline.
What is the SMILES notation for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline?
The canonical SMILES for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline is CCCNc1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1.
What is the InChIKey of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline?
The InChIKey is JXQQSPORZWCYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-5-11-21-17-9-7-16(8-10-17)13-24-18(6-2)23-19-14(3)12-15(4)22-20(19)24/h7-10,12,21H,5-6,11,13H2,1-4H3.
What are the key properties of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline?
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline has a molecular weight of 322.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline is sourced from PubChem (CID 19385717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).