1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine

C19H22FN5 — CID 151812576

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCNCC3)n(Cc3ccc(F)c(C)c3)c2c1
InChIInChI=1S/C19H22FN5/c1-13-9-17-18(22-11-13)23-19(24-7-5-21-6-8-24)25(17)12-15-3-4-16(20)14(2)10-15/h3-4,9-11,21H,5-8,12H2,1-2H3
InChIKeySAXSNNBDJHMHRI-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.65
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine

1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 151812576) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID151812576
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCc1cnc2nc(N3CCNCC3)n(Cc3ccc(F)c(C)c3)c2c1
InChIInChI=1S/C19H22FN5/c1-13-9-17-18(22-11-13)23-19(24-7-5-21-6-8-24)25(17)12-15-3-4-16(20)14(2)10-15/h3-4,9-11,21H,5-8,12H2,1-2H3
InChIKeySAXSNNBDJHMHRI-UHFFFAOYSA-N
XLogP2.65
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-fluoro-3-methylphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-2-yl]pyrrolidin-3-amine
CID 150154096
1-[[1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-c]pyridin-4-yl]methyl]piperidin-4-ol
CID 148525617
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 152508100
1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 153290721
1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-fluorophenyl)-2-piperazin-1-ylbenzimidazole
CID 153290712
4-bromo-1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 151900391
4-cyclopentyloxy-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazole
CID 157499658
1-[(3,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522407
(1R)-1-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]prop-2-en-1-amine
CID 153290745
[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazol-4-yl]methanol
CID 153290555
4-(1,5-dimethylpyrazol-3-yl)-1-[(4-methylphenyl)methyl]-2-piperazin-1-ylbenzimidazole
CID 161146250
[1-[(3-chloro-4-fluorophenyl)methyl]-2-(1,4-diazepan-1-yl)-5,6-dimethylbenzimidazol-4-yl] 2,2,2-trifluoroacetate
CID 153290615

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine (CID 151812576) is 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine is Cc1cnc2nc(N3CCNCC3)n(Cc3ccc(F)c(C)c3)c2c1.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is SAXSNNBDJHMHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-9-17-18(22-11-13)23-19(24-7-5-21-6-8-24)25(17)12-15-3-4-16(20)14(2)10-15/h3-4,9-11,21H,5-8,12H2,1-2H3.
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine?
1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 339.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 151812576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).