3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

C18H20FN5 — CID 19829965

IUPAC3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCN1CCN(c2nc3cccnc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN5/c1-22-9-11-23(12-10-22)18-21-16-3-2-8-20-17(16)24(18)13-14-4-6-15(19)7-5-14/h2-8H,9-13H2,1H3
InChIKeyDEPJMVSJTCJXHE-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.37
Rot. Bonds3

About 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine

3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (PubChem CID 19829965) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
PubChem CID19829965
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine
SMILESCN1CCN(c2nc3cccnc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN5/c1-22-9-11-23(12-10-22)18-21-16-3-2-8-20-17(16)24(18)13-14-4-6-15(19)7-5-14/h2-8H,9-13H2,1H3
InChIKeyDEPJMVSJTCJXHE-UHFFFAOYSA-N
XLogP2.37
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine (CID 19829965) is 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is CN1CCN(c2nc3cccnc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
The InChIKey is DEPJMVSJTCJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-22-9-11-23(12-10-22)18-21-16-3-2-8-20-17(16)24(18)13-14-4-6-15(19)7-5-14/h2-8H,9-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine?
3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine has a molecular weight of 325.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 19829965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).