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

C18H19FN4 — CID 117161399

IUPAC3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2ccccc2F)C1
InChIInChI=1S/C18H19FN4/c1-22-10-8-13(12-22)11-17-21-15-6-4-9-20-18(15)23(17)16-7-3-2-5-14(16)19/h2-7,9,13H,8,10-12H2,1H3
InChIKeyHCYIFXLOTOCCDW-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.05
Rot. Bonds3

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

3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117161399) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117161399
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2ccccc2F)C1
InChIInChI=1S/C18H19FN4/c1-22-10-8-13(12-22)11-17-21-15-6-4-9-20-18(15)23(17)16-7-3-2-5-14(16)19/h2-7,9,13H,8,10-12H2,1H3
InChIKeyHCYIFXLOTOCCDW-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 117161399) is 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(Cc2nc3cccnc3n2-c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is HCYIFXLOTOCCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-22-10-8-13(12-22)11-17-21-15-6-4-9-20-18(15)23(17)16-7-3-2-5-14(16)19/h2-7,9,13H,8,10-12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 310.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).