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

C21H20FN3O2 — CID 146012400

IUPAC3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CCCO
InChIInChI=1S/C21H20FN3O2/c22-16-4-2-14(3-5-16)18-19-17(8-11-24-21(19)27)25(12-1-13-26)20(18)15-6-9-23-10-7-15/h2-7,9-10,26H,1,8,11-13H2,(H,24,27)
InChIKeyNTEMTLFUVLQNMT-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.02
Rot. Bonds5

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

3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012400) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012400
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CCCO
InChIInChI=1S/C21H20FN3O2/c22-16-4-2-14(3-5-16)18-19-17(8-11-24-21(19)27)25(12-1-13-26)20(18)15-6-9-23-10-7-15/h2-7,9-10,26H,1,8,11-13H2,(H,24,27)
InChIKeyNTEMTLFUVLQNMT-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012400) is 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-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-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CCCO.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is NTEMTLFUVLQNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-16-4-2-14(3-5-16)18-19-17(8-11-24-21(19)27)25(12-1-13-26)20(18)15-6-9-23-10-7-15/h2-7,9-10,26H,1,8,11-13H2,(H,24,27).
What are the key properties of 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 365.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).