2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C24H21F2N3O2 — CID 154667104

IUPAC2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCN1Cc2nc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-21-19(23(28)31)7-8-20(27-21)18-4-2-3-15-13-16(5-6-17(15)18)22(30)29-11-9-24(25,26)10-12-29/h2-8,13H,9-12,14H2,1H3
InChIKeyUELZCYFPRRAMCH-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.36
Rot. Bonds2

About 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 154667104) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID154667104
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCN1Cc2nc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-21-19(23(28)31)7-8-20(27-21)18-4-2-3-15-13-16(5-6-17(15)18)22(30)29-11-9-24(25,26)10-12-29/h2-8,13H,9-12,14H2,1H3
InChIKeyUELZCYFPRRAMCH-UHFFFAOYSA-N
XLogP4.36
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 154667104) is 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is CN1Cc2nc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ccc2C1=O.
What is the InChIKey of 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UELZCYFPRRAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-28-14-21-19(23(28)31)7-8-20(27-21)18-4-2-3-15-13-16(5-6-17(15)18)22(30)29-11-9-24(25,26)10-12-29/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 421.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 154667104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).