3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine

C19H23N5 — CID 71321562

IUPAC3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
SMILESCn1cnc2ccc(N3CCN(CCc4ccccc4)CC3)nc21
InChIInChI=1S/C19H23N5/c1-22-15-20-17-7-8-18(21-19(17)22)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyZEPQAFXUJAIABJ-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.33
Rot. Bonds4

About 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine

3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine (PubChem CID 71321562) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
PubChem CID71321562
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
SMILESCn1cnc2ccc(N3CCN(CCc4ccccc4)CC3)nc21
InChIInChI=1S/C19H23N5/c1-22-15-20-17-7-8-18(21-19(17)22)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyZEPQAFXUJAIABJ-UHFFFAOYSA-N
XLogP2.33
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine (CID 71321562) is 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine is Cn1cnc2ccc(N3CCN(CCc4ccccc4)CC3)nc21.
What is the InChIKey of 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine?
The InChIKey is ZEPQAFXUJAIABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-22-15-20-17-7-8-18(21-19(17)22)24-13-11-23(12-14-24)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine?
3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine has a molecular weight of 321.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 71321562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).