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

C24H25N5O — CID 90368235

IUPAC2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(CN5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-18(5-3-1)17-30-21-9-6-19(7-10-21)23-27-22-11-8-20(26-24(22)28-23)16-29-14-12-25-13-15-29/h1-11,25H,12-17H2,(H,26,27,28)
InChIKeyDYZCPVGCTXTGJV-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.61
Rot. Bonds6

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

2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90368235) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID90368235
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4nc(CN5CCNCC5)ccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-18(5-3-1)17-30-21-9-6-19(7-10-21)23-27-22-11-8-20(26-24(22)28-23)16-29-14-12-25-13-15-29/h1-11,25H,12-17H2,(H,26,27,28)
InChIKeyDYZCPVGCTXTGJV-UHFFFAOYSA-N
XLogP3.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
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-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 90368235) is 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is c1ccc(COc2ccc(-c3nc4nc(CN5CCNCC5)ccc4[nH]3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DYZCPVGCTXTGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-4-18(5-3-1)17-30-21-9-6-19(7-10-21)23-27-22-11-8-20(26-24(22)28-23)16-29-14-12-25-13-15-29/h1-11,25H,12-17H2,(H,26,27,28).
What are the key properties of 2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
2-(4-phenylmethoxyphenyl)-5-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.61, 6 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-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).