6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C23H19F2N3O2 — CID 154667246

IUPAC6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21
InChIInChI=1S/C23H19F2N3O2/c24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-5,10-11,13H,6-9,12H2,(H,27,29)
InChIKeyQFNHHGYPDAHDQE-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.02
Rot. Bonds2

About 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 154667246) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID154667246
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESO=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21
InChIInChI=1S/C23H19F2N3O2/c24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-5,10-11,13H,6-9,12H2,(H,27,29)
InChIKeyQFNHHGYPDAHDQE-UHFFFAOYSA-N
XLogP4.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 154667246) is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is O=C1NCc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc21.
What is the InChIKey of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is QFNHHGYPDAHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-23(25)6-8-28(9-7-23)22(30)15-4-5-17-14(10-15)2-1-3-18(17)20-11-16-12-27-21(29)19(16)13-26-20/h1-5,10-11,13H,6-9,12H2,(H,27,29).
What are the key properties of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 407.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 154667246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).