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

C24H21F2N3O2 — CID 154667380

IUPAC6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-17-12-21(27-13-20(17)23(28)31)19-4-2-3-15-11-16(5-6-18(15)19)22(30)29-9-7-24(25,26)8-10-29/h2-6,11-13H,7-10,14H2,1H3
InChIKeyNNUGLOOQHSTHRU-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.36
Rot. Bonds2

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

6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 154667380) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID154667380
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc2C1=O
InChIInChI=1S/C24H21F2N3O2/c1-28-14-17-12-21(27-13-20(17)23(28)31)19-4-2-3-15-11-16(5-6-18(15)19)22(30)29-9-7-24(25,26)8-10-29/h2-6,11-13H,7-10,14H2,1H3
InChIKeyNNUGLOOQHSTHRU-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

Analyze 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
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Jwh-368
CID 44418331
(1-(5-fluoropentyl)-1H-indol-3-yl)(4-methyl-1-naphthalenyl)methanone
CID 66570720
(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418355
(4-Ethyl-1-naphthalenyl)(1-(5-fluoropentyl)-1H-indol-3-yl)methanone
CID 71308187
naphthalen-1-yl(1-pentyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methanone
CID 44418368
Jwh-182
CID 45268702
(1-Propyl-1H-indol-3-yl)(4-propylnaphthalen-1-yl)methanone
CID 45266978
N-[4-(N-[2-[2,4-bis(trifluoromethyl)phenyl]acetyl]anilino)but-2-ynyl]pyridine-3-carboxamide
CID 168271607
Jwh-363
CID 44418338

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 154667380) is 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one is CN1Cc2cc(-c3cccc4cc(C(=O)N5CCC(F)(F)CC5)ccc34)ncc2C1=O.
What is the InChIKey of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is NNUGLOOQHSTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-28-14-17-12-21(27-13-20(17)23(28)31)19-4-2-3-15-11-16(5-6-18(15)19)22(30)29-9-7-24(25,26)8-10-29/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-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 6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 154667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).