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

C18H20ClN5 — CID 126720417

IUPAC3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCc1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5/c1-13-22-17-16(23-9-7-20-8-10-23)5-6-21-18(17)24(13)12-14-3-2-4-15(19)11-14/h2-6,11,20H,7-10,12H2,1H3
InChIKeyPKZVDPFXSONNCH-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.85
Rot. Bonds3

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

3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720417) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720417
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCc1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5/c1-13-22-17-16(23-9-7-20-8-10-23)5-6-21-18(17)24(13)12-14-3-2-4-15(19)11-14/h2-6,11,20H,7-10,12H2,1H3
InChIKeyPKZVDPFXSONNCH-UHFFFAOYSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720417) is 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is Cc1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is PKZVDPFXSONNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-13-22-17-16(23-9-7-20-8-10-23)5-6-21-18(17)24(13)12-14-3-2-4-15(19)11-14/h2-6,11,20H,7-10,12H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 341.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).