4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one

C24H26FN3O2 — CID 25028848

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1CCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C24H26FN3O2/c25-21-7-8-22(26-16-21)18-30-23-10-14-28(24(29)15-23)13-9-19-3-5-20(6-4-19)17-27-11-1-2-12-27/h3-8,10,14-16H,1-2,9,11-13,17-18H2
InChIKeyCWWTYTXDVDXUDF-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.80
Rot. Bonds8

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one (PubChem CID 25028848) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
PubChem CID25028848
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1CCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C24H26FN3O2/c25-21-7-8-22(26-16-21)18-30-23-10-14-28(24(29)15-23)13-9-19-3-5-20(6-4-19)17-27-11-1-2-12-27/h3-8,10,14-16H,1-2,9,11-13,17-18H2
InChIKeyCWWTYTXDVDXUDF-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one (CID 25028848) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cn2)ccn1CCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
The InChIKey is CWWTYTXDVDXUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-7-8-22(26-16-21)18-30-23-10-14-28(24(29)15-23)13-9-19-3-5-20(6-4-19)17-27-11-1-2-12-27/h3-8,10,14-16H,1-2,9,11-13,17-18H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one has a molecular weight of 407.49 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 25028848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).