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

C20H18FN3O — CID 121417625

IUPAC3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2c1[nH]c(-c1ccncc1)c2-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-20(2)11-23-19(25)16-15(12-3-5-14(21)6-4-12)17(24-18(16)20)13-7-9-22-10-8-13/h3-10,24H,11H2,1-2H3,(H,23,25)
InChIKeyOEMLSCIYEMIJRE-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.90
Rot. Bonds2

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

3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 121417625) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID121417625
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC1(C)CNC(=O)c2c1[nH]c(-c1ccncc1)c2-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-20(2)11-23-19(25)16-15(12-3-5-14(21)6-4-12)17(24-18(16)20)13-7-9-22-10-8-13/h3-10,24H,11H2,1-2H3,(H,23,25)
InChIKeyOEMLSCIYEMIJRE-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 121417625) is 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CC1(C)CNC(=O)c2c1[nH]c(-c1ccncc1)c2-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is OEMLSCIYEMIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-20(2)11-23-19(25)16-15(12-3-5-14(21)6-4-12)17(24-18(16)20)13-7-9-22-10-8-13/h3-10,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 335.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 121417625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).