1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C18H20FN5 — CID 126720421

IUPAC1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CCNCC3)nccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN5/c1-13-22-17-16(24(13)12-14-2-4-15(19)5-3-14)6-7-21-18(17)23-10-8-20-9-11-23/h2-7,20H,8-12H2,1H3
InChIKeyJUQQPCOIZBIZBC-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.34
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 126720421) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID126720421
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CCNCC3)nccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN5/c1-13-22-17-16(24(13)12-14-2-4-15(19)5-3-14)6-7-21-18(17)23-10-8-20-9-11-23/h2-7,20H,8-12H2,1H3
InChIKeyJUQQPCOIZBIZBC-UHFFFAOYSA-N
XLogP2.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-1-piperazin-1-ylisoquinoline
CID 82276441
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1-[(4-fluoro-3-methylphenyl)methyl]-6-methyl-2-piperazin-1-ylimidazo[4,5-b]pyridine
CID 151812576
1-[(3,5-difluorophenyl)methyl]-5,6-dimethyl-2-piperazin-1-ylbenzimidazole
CID 153290721
3-[(4-fluorophenyl)methyl]-2,5-dimethylimidazole-4-carboxylic acid
CID 82296233
2-[1-[(4-fluorophenyl)methyl]-6-piperazin-1-ylbenzimidazol-2-yl]quinoxaline
CID 134126847
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 14013355
1-[(4-fluorophenyl)methyl]-3-[(4-methylphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240417
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 126720421) is 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is Cc1nc2c(N3CCNCC3)nccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is JUQQPCOIZBIZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-13-22-17-16(24(13)12-14-2-4-15(19)5-3-14)6-7-21-18(17)23-10-8-20-9-11-23/h2-7,20H,8-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 325.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 126720421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).