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

C24H21F2N3O2 — CID 154667156

IUPAC3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1Cc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)cnc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-20-12-19(13-27-21(20)23(28)31)16-4-2-15-3-5-17(11-18(15)10-16)22(30)29-8-6-24(25,26)7-9-29/h2-5,10-13H,6-9,14H2,1H3
InChIKeyXYDQTHSKAGVYJV-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.36
Rot. Bonds2

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

3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 154667156) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID154667156
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1Cc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)cnc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-20-12-19(13-27-21(20)23(28)31)16-4-2-15-3-5-17(11-18(15)10-16)22(30)29-8-6-24(25,26)7-9-29/h2-5,10-13H,6-9,14H2,1H3
InChIKeyXYDQTHSKAGVYJV-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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Related Compounds

6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
CID 176752233
3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667241
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
5'-[7-(4,4-difluoropiperidine-1-carbonyl)quinolin-4-yl]-2'-methylspiro[cyclopropane-1,3'-isoindole]-1'-one
CID 170175781
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
CID 163676622
CID 163676622
[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[6-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)naphthalen-2-yl]methanone
CID 172664204
2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one
CID 172603449

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (CID 154667156) is 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is CN1Cc2cc(-c3ccc4ccc(C(=O)N5CCC(F)(F)CC5)cc4c3)cnc2C1=O.
What is the InChIKey of 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is XYDQTHSKAGVYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-28-14-20-12-19(13-27-21(20)23(28)31)16-4-2-15-3-5-17(11-18(15)10-16)22(30)29-8-6-24(25,26)7-9-29/h2-5,10-13H,6-9,14H2,1H3.
What are the key properties of 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-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 3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 154667156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).