[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone

C21H20F2N4O2 — CID 118590336

IUPAC[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12)N1CC(O)C1
InChIInChI=1S/C21H20F2N4O2/c22-13-3-5-17(23)16(8-13)18-2-1-7-26(18)14-4-6-20-24-9-19(27(20)10-14)21(29)25-11-15(28)12-25/h3-6,8-10,15,18,28H,1-2,7,11-12H2
InChIKeyFLKKGYWDUVREGM-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.77
Rot. Bonds3

About [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone

[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 118590336) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID118590336
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12)N1CC(O)C1
InChIInChI=1S/C21H20F2N4O2/c22-13-3-5-17(23)16(8-13)18-2-1-7-26(18)14-4-6-20-24-9-19(27(20)10-14)21(29)25-11-15(28)12-25/h3-6,8-10,15,18,28H,1-2,7,11-12H2
InChIKeyFLKKGYWDUVREGM-UHFFFAOYSA-N
XLogP2.77
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 118590336) is [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12)N1CC(O)C1.
What is the InChIKey of [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is FLKKGYWDUVREGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-13-3-5-17(23)16(8-13)18-2-1-7-26(18)14-4-6-20-24-9-19(27(20)10-14)21(29)25-11-15(28)12-25/h3-6,8-10,15,18,28H,1-2,7,11-12H2.
What are the key properties of [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?
[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 398.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 118590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).