2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine

C23H31N5O — CID 126720406

IUPAC2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(CC(C)(C)C)nc3c(N4CCNCC4)ccnc32)c1
InChIInChI=1S/C23H31N5O/c1-23(2,3)15-20-26-21-19(27-12-10-24-11-13-27)8-9-25-22(21)28(20)16-17-6-5-7-18(14-17)29-4/h5-9,14,24H,10-13,15-16H2,1-4H3
InChIKeyFBCADTQQYOZWAI-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.49
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine

2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720406) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720406
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1cccc(Cn2c(CC(C)(C)C)nc3c(N4CCNCC4)ccnc32)c1
InChIInChI=1S/C23H31N5O/c1-23(2,3)15-20-26-21-19(27-12-10-24-11-13-27)8-9-25-22(21)28(20)16-17-6-5-7-18(14-17)29-4/h5-9,14,24H,10-13,15-16H2,1-4H3
InChIKeyFBCADTQQYOZWAI-UHFFFAOYSA-N
XLogP3.49
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720406) is 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine is COc1cccc(Cn2c(CC(C)(C)C)nc3c(N4CCNCC4)ccnc32)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is FBCADTQQYOZWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-23(2,3)15-20-26-21-19(27-12-10-24-11-13-27)8-9-25-22(21)28(20)16-17-6-5-7-18(14-17)29-4/h5-9,14,24H,10-13,15-16H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine?
2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 393.54 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-[(3-methoxyphenyl)methyl]-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).