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

C24H25N5O — CID 90368193

IUPAC2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(Oc1ccc(-c2nc3nc(N4CCNCC4)ccc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H25N5O/c1-17(18-5-3-2-4-6-18)30-20-9-7-19(8-10-20)23-26-21-11-12-22(27-24(21)28-23)29-15-13-25-14-16-29/h2-12,17,25H,13-16H2,1H3,(H,26,27,28)
InChIKeyGZVXLAOJKAORGO-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.17
Rot. Bonds5

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

2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 90368193) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
PubChem CID90368193
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine
SMILESCC(Oc1ccc(-c2nc3nc(N4CCNCC4)ccc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H25N5O/c1-17(18-5-3-2-4-6-18)30-20-9-7-19(8-10-20)23-26-21-11-12-22(27-24(21)28-23)29-15-13-25-14-16-29/h2-12,17,25H,13-16H2,1H3,(H,26,27,28)
InChIKeyGZVXLAOJKAORGO-UHFFFAOYSA-N
XLogP4.17
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine (CID 90368193) is 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine is CC(Oc1ccc(-c2nc3nc(N4CCNCC4)ccc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is GZVXLAOJKAORGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17(18-5-3-2-4-6-18)30-20-9-7-19(8-10-20)23-26-21-11-12-22(27-24(21)28-23)29-15-13-25-14-16-29/h2-12,17,25H,13-16H2,1H3,(H,26,27,28).
What are the key properties of 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine?
2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethoxy)phenyl]-5-piperazin-1-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).