3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

C25H23N3O2 — CID 154667241

IUPAC3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CC6(CCC6)C5)ccc34)cnc2C1=O
InChIInChI=1S/C25H23N3O2/c1-27-13-19-11-18(12-26-22(19)24(27)30)20-5-2-4-16-10-17(6-7-21(16)20)23(29)28-14-25(15-28)8-3-9-25/h2,4-7,10-12H,3,8-9,13-15H2,1H3
InChIKeyBSVBQEIILCYOKY-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.11
Rot. Bonds2

About 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one

3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 154667241) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID154667241
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CC6(CCC6)C5)ccc34)cnc2C1=O
InChIInChI=1S/C25H23N3O2/c1-27-13-19-11-18(12-26-22(19)24(27)30)20-5-2-4-16-10-17(6-7-21(16)20)23(29)28-14-25(15-28)8-3-9-25/h2,4-7,10-12H,3,8-9,13-15H2,1H3
InChIKeyBSVBQEIILCYOKY-UHFFFAOYSA-N
XLogP4.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[6-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]naphthalen-1-yl]-2H-phthalazin-1-one;6-[6-(2-azabicyclo[4.1.0]heptane-2-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;6-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2,6-difluorobenzoic acid;6-[6-(3,6-dihydro-2H-pyridine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one;6-methyl-3-[6-(4-methylpiperidine-1-carbonyl)naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 163757368
2-methyl-5-[6-[(3R)-3-methylpyrrolidine-1-carbonyl]naphthalen-1-yl]-3H-isoindol-1-one
CID 154667398
3-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one
CID 154667156
7-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154667377
5-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154667161
CID 163676622
CID 163676622
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(2-methoxypyrimidin-5-yl)naphthalen-2-yl]methanone
CID 172662609
N-[(Z)-[1-methyl-4-[6-(piperidine-1-carbonyl)naphthalen-1-yl]-2-pyridinylidene]amino]formamide
CID 155042071
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[3-(3-methyl-2-pyridinyl)phenyl]methanone
CID 125178083
2-methyl-5-[1-methyl-7-(piperidine-1-carbonyl)imidazo[1,2-a]quinoxalin-4-yl]-3H-isoindol-1-one
CID 172603449
[5-(5-chloro-2-methylphenyl)naphthalen-2-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 172671599

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one (CID 154667241) is 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is CN1Cc2cc(-c3cccc4cc(C(=O)N5CC6(CCC6)C5)ccc34)cnc2C1=O.
What is the InChIKey of 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is BSVBQEIILCYOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-27-13-19-11-18(12-26-22(19)24(27)30)20-5-2-4-16-10-17(6-7-21(16)20)23(29)28-14-25(15-28)8-3-9-25/h2,4-7,10-12H,3,8-9,13-15H2,1H3.
What are the key properties of 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one?
3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 397.48 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-azaspiro[3.3]heptane-2-carbonyl)naphthalen-1-yl]-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 154667241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).