[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone

C25H28FN5O3 — CID 25264776

IUPAC[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1noc(CN2CC(Oc3ccc(-c4ccc(C(=O)N5CCCC5)c(F)c4)nc3)C2)n1
InChIInChI=1S/C25H28FN5O3/c1-16(2)24-28-23(34-29-24)15-30-13-19(14-30)33-18-6-8-22(27-12-18)17-5-7-20(21(26)11-17)25(32)31-9-3-4-10-31/h5-8,11-12,16,19H,3-4,9-10,13-15H2,1-2H3
InChIKeySEFZZIMJGJUXCE-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.89
Rot. Bonds7

About [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone

[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 25264776) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID25264776
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)c1noc(CN2CC(Oc3ccc(-c4ccc(C(=O)N5CCCC5)c(F)c4)nc3)C2)n1
InChIInChI=1S/C25H28FN5O3/c1-16(2)24-28-23(34-29-24)15-30-13-19(14-30)33-18-6-8-22(27-12-18)17-5-7-20(21(26)11-17)25(32)31-9-3-4-10-31/h5-8,11-12,16,19H,3-4,9-10,13-15H2,1-2H3
InChIKeySEFZZIMJGJUXCE-UHFFFAOYSA-N
XLogP3.89
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-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 [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone (CID 25264776) is [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is CC(C)c1noc(CN2CC(Oc3ccc(-c4ccc(C(=O)N5CCCC5)c(F)c4)nc3)C2)n1.
What is the InChIKey of [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SEFZZIMJGJUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16(2)24-28-23(34-29-24)15-30-13-19(14-30)33-18-6-8-22(27-12-18)17-5-7-20(21(26)11-17)25(32)31-9-3-4-10-31/h5-8,11-12,16,19H,3-4,9-10,13-15H2,1-2H3.
What are the key properties of [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone?
[2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 465.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25264776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).