3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C24H23FN4O2 — CID 146012401

IUPAC3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC(=O)N1CCCC1
InChIInChI=1S/C24H23FN4O2/c25-18-5-3-16(4-6-18)21-22-19(9-12-27-24(22)31)29(15-20(30)28-13-1-2-14-28)23(21)17-7-10-26-11-8-17/h3-8,10-11H,1-2,9,12-15H2,(H,27,31)
InChIKeyHGKNCYBLMOYRTA-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.26
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012401) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012401
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC(=O)N1CCCC1
InChIInChI=1S/C24H23FN4O2/c25-18-5-3-16(4-6-18)21-22-19(9-12-27-24(22)31)29(15-20(30)28-13-1-2-14-28)23(21)17-7-10-26-11-8-17/h3-8,10-11H,1-2,9,12-15H2,(H,27,31)
InChIKeyHGKNCYBLMOYRTA-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012401) is 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC(=O)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is HGKNCYBLMOYRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-18-5-3-16(4-6-18)21-22-19(9-12-27-24(22)31)29(15-20(30)28-13-1-2-14-28)23(21)17-7-10-26-11-8-17/h3-8,10-11H,1-2,9,12-15H2,(H,27,31).
What are the key properties of 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 418.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).