5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one

C22H22F2N4O2 — CID 154995043

IUPAC5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc21
InChIInChI=1S/C22H22F2N4O2/c23-22(24)5-8-27(9-6-22)21(30)16-10-14-2-1-7-28(19(14)25-13-16)17-3-4-18-15(11-17)12-26-20(18)29/h3-4,10-11,13H,1-2,5-9,12H2,(H,26,29)
InChIKeyYHOMYECBEHHOPI-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.28
Rot. Bonds2

About 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one

5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one (PubChem CID 154995043) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
PubChem CID154995043
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc21
InChIInChI=1S/C22H22F2N4O2/c23-22(24)5-8-27(9-6-22)21(30)16-10-14-2-1-7-28(19(14)25-13-16)17-3-4-18-15(11-17)12-26-20(18)29/h3-4,10-11,13H,1-2,5-9,12H2,(H,26,29)
InChIKeyYHOMYECBEHHOPI-UHFFFAOYSA-N
XLogP3.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydroisoindol-1-one
CID 154995296
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylquinazolin-4-one
CID 167390374
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390386
7-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 154994533
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
2-ethyl-5-[6-[4-fluoro-3-methyl-4-[(E)-prop-1-enyl]piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 166887164
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
2-(2-methoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166886458
5-[2-amino-4-(4,4-difluoropiperidine-1-carbonyl)benzenecarboximidoyl]-2,3-dihydroisoindol-1-one
CID 156811157
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
2-[2-(oxetan-3-yl)ethyl]-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887023
5-[6-[(3S)-3-(difluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154994586

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one (CID 154995043) is 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(N3CCCc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)ccc21.
What is the InChIKey of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is YHOMYECBEHHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c23-22(24)5-8-27(9-6-22)21(30)16-10-14-2-1-7-28(19(14)25-13-16)17-3-4-18-15(11-17)12-26-20(18)29/h3-4,10-11,13H,1-2,5-9,12H2,(H,26,29).
What are the key properties of 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one?
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 412.44 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 154995043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).