1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C24H27FN4O2 — CID 92615662

IUPAC1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)o1
InChIInChI=1S/C24H27FN4O2/c1-16(2)24-28-27-22(31-24)11-12-23(30)29-13-5-8-21(29)20-10-9-17(15-26-20)14-18-6-3-4-7-19(18)25/h3-4,6-7,9-10,15-16,21H,5,8,11-14H2,1-2H3/t21-/m1/s1
InChIKeyQXSIKGFQEUFMRA-OAQYLSRUSA-N
MW422.50 g/mol
LogP4.61
Rot. Bonds7

About 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 92615662) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID92615662
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)o1
InChIInChI=1S/C24H27FN4O2/c1-16(2)24-28-27-22(31-24)11-12-23(30)29-13-5-8-21(29)20-10-9-17(15-26-20)14-18-6-3-4-7-19(18)25/h3-4,6-7,9-10,15-16,21H,5,8,11-14H2,1-2H3/t21-/m1/s1
InChIKeyQXSIKGFQEUFMRA-OAQYLSRUSA-N
XLogP4.61
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 92615662) is 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)o1.
What is the InChIKey of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is QXSIKGFQEUFMRA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16(2)24-28-27-22(31-24)11-12-23(30)29-13-5-8-21(29)20-10-9-17(15-26-20)14-18-6-3-4-7-19(18)25/h3-4,6-7,9-10,15-16,21H,5,8,11-14H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 422.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 92615662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).