[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C18H20FN3O — CID 91924513

IUPAC[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCC1
InChIInChI=1S/C18H20FN3O/c19-15-6-3-13(4-7-15)16-11-20-17-8-5-14(12-22(16)17)18(23)21-9-1-2-10-21/h3-4,6-7,11,14H,1-2,5,8-10,12H2
InChIKeyYYCKLVPTVJTAKG-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.87
Rot. Bonds2

About [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 91924513) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID91924513
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCC1
InChIInChI=1S/C18H20FN3O/c19-15-6-3-13(4-7-15)16-11-20-17-8-5-14(12-22(16)17)18(23)21-9-1-2-10-21/h3-4,6-7,11,14H,1-2,5,8-10,12H2
InChIKeyYYCKLVPTVJTAKG-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 91924513) is [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCc2ncc(-c3ccc(F)cc3)n2C1)N1CCCC1.
What is the InChIKey of [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYCKLVPTVJTAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-6-3-13(4-7-15)16-11-20-17-8-5-14(12-22(16)17)18(23)21-9-1-2-10-21/h3-4,6-7,11,14H,1-2,5,8-10,12H2.
What are the key properties of [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91924513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).