4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol

C21H20N4O — CID 71521091

IUPAC4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-3-5-16(6-4-15)12-22-17-11-20-21(23-13-17)25(14-24-20)18-7-9-19(26)10-8-18/h3-11,13-14,22,26H,2,12H2,1H3
InChIKeyNMWXGNOBEGGAOE-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.30
Rot. Bonds5

About 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol

4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol (PubChem CID 71521091) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol
PubChem CID71521091
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H20N4O/c1-2-15-3-5-16(6-4-15)12-22-17-11-20-21(23-13-17)25(14-24-20)18-7-9-19(26)10-8-18/h3-11,13-14,22,26H,2,12H2,1H3
InChIKeyNMWXGNOBEGGAOE-UHFFFAOYSA-N
XLogP4.30
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol (CID 71521091) is 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol is CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is NMWXGNOBEGGAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-15-3-5-16(6-4-15)12-22-17-11-20-21(23-13-17)25(14-24-20)18-7-9-19(26)10-8-18/h3-11,13-14,22,26H,2,12H2,1H3.
What are the key properties of 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol?
4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 71521091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).