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

C23H24N4 — CID 23156166

IUPAC4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3
InChIKeyMCYDACUHEDLRBQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.40
Rot. Bonds5

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

4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline (PubChem CID 23156166) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
PubChem CID23156166
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3
InChIKeyMCYDACUHEDLRBQ-UHFFFAOYSA-N
XLogP5.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline?
The IUPAC name of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline (CID 23156166) is 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline.
What is the SMILES notation for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline?
The canonical SMILES for 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline?
The InChIKey is MCYDACUHEDLRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-4-21-26-22-16(2)14-17(3)24-23(22)27(21)15-18-10-12-20(13-11-18)25-19-8-6-5-7-9-19/h5-14,25H,4,15H2,1-3H3.
What are the key properties of 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline?
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline has a molecular weight of 356.47 g/mol, XLogP of 5.40, 5 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-phenylaniline is sourced from PubChem (CID 23156166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).