2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine

C23H23N5O — CID 90356791

IUPAC2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(N5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)22-25-20-10-11-21(26-23(20)27-22)28-14-12-24-13-15-28/h1-11,24H,12-16H2,(H,25,26,27)
InChIKeyGABUWBNSLMJJMI-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine

2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 90356791) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
PubChem CID90356791
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(N5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)22-25-20-10-11-21(26-23(20)27-22)28-14-12-24-13-15-28/h1-11,24H,12-16H2,(H,25,26,27)
InChIKeyGABUWBNSLMJJMI-UHFFFAOYSA-N
XLogP3.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine (CID 90356791) is 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine is c1ccc(COc2ccc(-c3nc4nc(N5CCNCC5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is GABUWBNSLMJJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)22-25-20-10-11-21(26-23(20)27-22)28-14-12-24-13-15-28/h1-11,24H,12-16H2,(H,25,26,27).
What are the key properties of 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 385.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90356791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).