3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

C18H21N5 — CID 53299080

IUPAC3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CN3CCNCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)23-17(13-22-11-9-19-10-12-22)21-16-3-2-8-20-18(16)23/h2-8,19H,9-13H2,1H3
InChIKeyPVTHGVHQWUQEIU-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.13
Rot. Bonds3

About 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 53299080) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID53299080
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CN3CCNCC3)nc3cccnc32)cc1
InChIInChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)23-17(13-22-11-9-19-10-12-22)21-16-3-2-8-20-18(16)23/h2-8,19H,9-13H2,1H3
InChIKeyPVTHGVHQWUQEIU-UHFFFAOYSA-N
XLogP2.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (CID 53299080) is 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CN3CCNCC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is PVTHGVHQWUQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)23-17(13-22-11-9-19-10-12-22)21-16-3-2-8-20-18(16)23/h2-8,19H,9-13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53299080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).