6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

C20H17FN6 — CID 53260642

IUPAC6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3nccc(N4CCCC4c4ccccn4)n3)n2c1
InChIInChI=1S/C20H17FN6/c21-14-6-7-18-24-12-17(27(18)13-14)20-23-10-8-19(25-20)26-11-3-5-16(26)15-4-1-2-9-22-15/h1-2,4,6-10,12-13,16H,3,5,11H2
InChIKeyNWIYMMMEVWJLRJ-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.67
Rot. Bonds3

About 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 53260642) has the molecular formula C20H17FN6 and a molecular weight of 360.40 g/mol. Its IUPAC name is 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID53260642
Molecular FormulaC20H17FN6
Molecular Weight360.40 g/mol
Exact Mass360.15
IUPAC Name6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3nccc(N4CCCC4c4ccccn4)n3)n2c1
InChIInChI=1S/C20H17FN6/c21-14-6-7-18-24-12-17(27(18)13-14)20-23-10-8-19(25-20)26-11-3-5-16(26)15-4-1-2-9-22-15/h1-2,4,6-10,12-13,16H,3,5,11H2
InChIKeyNWIYMMMEVWJLRJ-UHFFFAOYSA-N
XLogP3.67
TPSA59.21 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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 53260642) is 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is Fc1ccc2ncc(-c3nccc(N4CCCC4c4ccccn4)n3)n2c1.
What is the InChIKey of 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is NWIYMMMEVWJLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6/c21-14-6-7-18-24-12-17(27(18)13-14)20-23-10-8-19(25-20)26-11-3-5-16(26)15-4-1-2-9-22-15/h1-2,4,6-10,12-13,16H,3,5,11H2.
What are the key properties of 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 360.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-(2-pyridin-2-ylpyrrolidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 53260642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).