3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine

C20H17FN6 — CID 86267348

IUPAC3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
SMILESFc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C20H17FN6/c21-15-3-5-16(6-4-15)27-18-13-22-8-7-17(18)25-19(27)14-11-23-20(24-12-14)26-9-1-2-10-26/h3-8,11-13H,1-2,9-10H2
InChIKeyIIYHIECNJOXBNP-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.62
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine

3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine (PubChem CID 86267348) has the molecular formula C20H17FN6 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
PubChem CID86267348
Molecular FormulaC20H17FN6
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC Name3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
SMILESFc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C20H17FN6/c21-15-3-5-16(6-4-15)27-18-13-22-8-7-17(18)25-19(27)14-11-23-20(24-12-14)26-9-1-2-10-26/h3-8,11-13H,1-2,9-10H2
InChIKeyIIYHIECNJOXBNP-UHFFFAOYSA-N
XLogP3.62
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine (CID 86267348) is 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine is Fc1ccc(-n2c(-c3cnc(N4CCCC4)nc3)nc3ccncc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
The InChIKey is IIYHIECNJOXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6/c21-15-3-5-16(6-4-15)27-18-13-22-8-7-17(18)25-19(27)14-11-23-20(24-12-14)26-9-1-2-10-26/h3-8,11-13H,1-2,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine?
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine has a molecular weight of 360.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 86267348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).