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

C19H22ClN5 — CID 126720448

IUPAC3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H22ClN5/c1-2-17-23-18-16(24-11-9-21-10-12-24)7-8-22-19(18)25(17)13-14-5-3-4-6-15(14)20/h3-8,21H,2,9-13H2,1H3
InChIKeyCKMBZHIXVDVBQE-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.11
Rot. Bonds4

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

3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720448) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720448
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCCc1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl
InChIInChI=1S/C19H22ClN5/c1-2-17-23-18-16(24-11-9-21-10-12-24)7-8-22-19(18)25(17)13-14-5-3-4-6-15(14)20/h3-8,21H,2,9-13H2,1H3
InChIKeyCKMBZHIXVDVBQE-UHFFFAOYSA-N
XLogP3.11
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720448) is 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is CCc1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is CKMBZHIXVDVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-2-17-23-18-16(24-11-9-21-10-12-24)7-8-22-19(18)25(17)13-14-5-3-4-6-15(14)20/h3-8,21H,2,9-13H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 355.87 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).