6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

C24H25FN4O3 — CID 144603433

IUPAC6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESO=C1CCc2c(F)cc(N3CCCC3=O)cc21.Oc1ccc(CCC2=NCCN=C2)nc1
InChIInChI=1S/C13H12FNO2.C11H13N3O/c14-11-7-8(15-5-1-2-13(15)17)6-10-9(11)3-4-12(10)16;15-11-4-3-9(14-8-11)1-2-10-7-12-5-6-13-10/h6-7H,1-5H2;3-4,7-8,15H,1-2,5-6H2
InChIKeyJUSDBKKTBVLBCF-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.33
Rot. Bonds4

About 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one

6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (PubChem CID 144603433) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
PubChem CID144603433
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one
SMILESO=C1CCc2c(F)cc(N3CCCC3=O)cc21.Oc1ccc(CCC2=NCCN=C2)nc1
InChIInChI=1S/C13H12FNO2.C11H13N3O/c14-11-7-8(15-5-1-2-13(15)17)6-10-9(11)3-4-12(10)16;15-11-4-3-9(14-8-11)1-2-10-7-12-5-6-13-10/h6-7H,1-5H2;3-4,7-8,15H,1-2,5-6H2
InChIKeyJUSDBKKTBVLBCF-UHFFFAOYSA-N
XLogP3.33
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The IUPAC name of 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one (CID 144603433) is 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The canonical SMILES for 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is O=C1CCc2c(F)cc(N3CCCC3=O)cc21.Oc1ccc(CCC2=NCCN=C2)nc1.
What is the InChIKey of 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
The InChIKey is JUSDBKKTBVLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2.C11H13N3O/c14-11-7-8(15-5-1-2-13(15)17)6-10-9(11)3-4-12(10)16;15-11-4-3-9(14-8-11)1-2-10-7-12-5-6-13-10/h6-7H,1-5H2;3-4,7-8,15H,1-2,5-6H2.
What are the key properties of 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one?
6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one has a molecular weight of 436.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dihydropyrazin-5-yl)ethyl]pyridin-3-ol;1-(7-fluoro-3-oxo-1,2-dihydroinden-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 144603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).