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

C23H24FN3O — CID 146012388

IUPAC3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCCCCn1c2c(c(-c3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2
InChIInChI=1S/C23H24FN3O/c1-2-3-4-15-27-19-11-14-26-23(28)21(19)20(16-5-7-18(24)8-6-16)22(27)17-9-12-25-13-10-17/h5-10,12-13H,2-4,11,14-15H2,1H3,(H,26,28)
InChIKeyDTIDBPYPWYOOLG-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.83
Rot. Bonds6

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

3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012388) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012388
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCCCCn1c2c(c(-c3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2
InChIInChI=1S/C23H24FN3O/c1-2-3-4-15-27-19-11-14-26-23(28)21(19)20(16-5-7-18(24)8-6-16)22(27)17-9-12-25-13-10-17/h5-10,12-13H,2-4,11,14-15H2,1H3,(H,26,28)
InChIKeyDTIDBPYPWYOOLG-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012388) is 3-(4-fluorophenyl)-1-pentyl-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-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCCCCn1c2c(c(-c3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2.
What is the InChIKey of 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is DTIDBPYPWYOOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-2-3-4-15-27-19-11-14-26-23(28)21(19)20(16-5-7-18(24)8-6-16)22(27)17-9-12-25-13-10-17/h5-10,12-13H,2-4,11,14-15H2,1H3,(H,26,28).
What are the key properties of 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 377.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-pentyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).