6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone

C144H139F7N16O10 — CID 163558772

IUPAC6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCCC(F)(F)C5)ccc34)ccc2C1=O.Cc1cc(C(N)=O)ccc1-c1cccc2cc(C(=O)N3CCC(F)(F)CC3)ccc12.Cc1nc2c(o1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.Cn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)c(F)ccc2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCCCC1
InChIInChI=1S/C25H19F3N2O2.C25H22F2N2O2.C24H22F2N2O2.C24H25N3O.C23H26N4O.C23H25N3O2/c26-21-6-3-15-14-18(24(32)30-11-8-25(27,28)9-12-30)2-4-19(15)22(21)17-1-5-20-16(13-17)7-10-29-23(20)31;1-28-14-19-13-17(6-9-22(19)24(28)31)20-5-2-4-16-12-18(7-8-21(16)20)23(30)29-11-3-10-25(26,27)15-29;1-15-13-17(22(27)29)5-7-19(15)21-4-2-3-16-14-18(6-8-20(16)21)23(30)28-11-9-24(25,26)10-12-28;28-24(26-13-2-1-3-14-26)19-9-10-21-18(16-19)6-4-8-23(21)27-15-11-22-20(17-27)7-5-12-25-22;1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26;1-16-24-20-15-26(13-10-22(20)28-16)21-7-5-6-17-14-18(8-9-19(17)21)23(27)25-11-3-2-4-12-25/h1-7,10,13-14H,8-9,11-12H2,(H,29,31);2,4-9,12-13H,3,10-11,14-15H2,1H3;2-8,13-14H,9-12H2,1H3,(H2,27,29);4-10,12,16H,1-3,11,13-15,17H2;5-9,14-15H,2-4,10-13,16H2,1H3;5-9,14H,2-4,10-13,15H2,1H3
InChIKeyFPJWWUWWMUEVSU-UHFFFAOYSA-N
MW2386.78 g/mol
LogP27.62
Rot. Bonds13

About 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone

6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone (PubChem CID 163558772) has the molecular formula C144H139F7N16O10 and a molecular weight of 2386.78 g/mol. Its IUPAC name is 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
PubChem CID163558772
Molecular FormulaC144H139F7N16O10
Molecular Weight2386.78 g/mol
Exact Mass2385.07
IUPAC Name6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone
SMILESCN1Cc2cc(-c3cccc4cc(C(=O)N5CCCC(F)(F)C5)ccc34)ccc2C1=O.Cc1cc(C(N)=O)ccc1-c1cccc2cc(C(=O)N3CCC(F)(F)CC3)ccc12.Cc1nc2c(o1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.Cn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)c(F)ccc2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCCCC1
InChIInChI=1S/C25H19F3N2O2.C25H22F2N2O2.C24H22F2N2O2.C24H25N3O.C23H26N4O.C23H25N3O2/c26-21-6-3-15-14-18(24(32)30-11-8-25(27,28)9-12-30)2-4-19(15)22(21)17-1-5-20-16(13-17)7-10-29-23(20)31;1-28-14-19-13-17(6-9-22(19)24(28)31)20-5-2-4-16-12-18(7-8-21(16)20)23(30)29-11-3-10-25(26,27)15-29;1-15-13-17(22(27)29)5-7-19(15)21-4-2-3-16-14-18(6-8-20(16)21)23(30)28-11-9-24(25,26)10-12-28;28-24(26-13-2-1-3-14-26)19-9-10-21-18(16-19)6-4-8-23(21)27-15-11-22-20(17-27)7-5-12-25-22;1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26;1-16-24-20-15-26(13-10-22(20)28-16)21-7-5-6-17-14-18(8-9-19(17)21)23(27)25-11-3-2-4-12-25/h1-7,10,13-14H,8-9,11-12H2,(H,29,31);2,4-9,12-13H,3,10-11,14-15H2,1H3;2-8,13-14H,9-12H2,1H3,(H2,27,29);4-10,12,16H,1-3,11,13-15,17H2;5-9,14-15H,2-4,10-13,16H2,1H3;5-9,14H,2-4,10-13,15H2,1H3
InChIKeyFPJWWUWWMUEVSU-UHFFFAOYSA-N
XLogP27.62
TPSA284.58 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.78
LogP ≤ 527.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

7-[[(6R)-2,2-dimethyl-6-(trifluoromethyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-methyl-3-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5S)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2R,5R)-5-methyl-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158322017
7-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;7-[(2-ethylmorpholin-4-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[(2R)-2-methyl-5-(trifluoromethyl)piperazin-1-yl]methyl]quinoline-2-carboxamide;7-[[2-(2-methylpropyl)morpholin-4-yl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide
CID 158997711
6-(1,3-dihydroisoindol-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(4-fluoro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167666770
6-[(4,4-difluoro-3-hydroxypiperidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(3,4-dihydro-1H-2,6-naphthyridin-2-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167667985
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-4-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-2-ylpyrazole-4-carboxamide
CID 157455542
5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 163646282
N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-3-(4-methylpiperazin-1-yl)benzamide;N-[(2S)-5-(1-aminoisoquinolin-6-yl)-1-(3,4-difluorophenyl)-3-oxopentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[(2S)-1-[(1-aminoisoquinolin-6-yl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-imidazol-1-ylbenzamide
CID 167579498

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone (CID 163558772) is 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone is CN1Cc2cc(-c3cccc4cc(C(=O)N5CCCC(F)(F)C5)ccc34)ccc2C1=O.Cc1cc(C(N)=O)ccc1-c1cccc2cc(C(=O)N3CCC(F)(F)CC3)ccc12.Cc1nc2c(o1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.Cn1cc2c(n1)CCN(c1cccc3cc(C(=O)N4CCCCC4)ccc13)C2.O=C(c1ccc2c(-c3ccc4c(=O)[nH]ccc4c3)c(F)ccc2c1)N1CCC(F)(F)CC1.O=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCCCC1.
What is the InChIKey of 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
The InChIKey is FPJWWUWWMUEVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2.C25H22F2N2O2.C24H22F2N2O2.C24H25N3O.C23H26N4O.C23H25N3O2/c26-21-6-3-15-14-18(24(32)30-11-8-25(27,28)9-12-30)2-4-19(15)22(21)17-1-5-20-16(13-17)7-10-29-23(20)31;1-28-14-19-13-17(6-9-22(19)24(28)31)20-5-2-4-16-12-18(7-8-21(16)20)23(30)29-11-3-10-25(26,27)15-29;1-15-13-17(22(27)29)5-7-19(15)21-4-2-3-16-14-18(6-8-20(16)21)23(30)28-11-9-24(25,26)10-12-28;28-24(26-13-2-1-3-14-26)19-9-10-21-18(16-19)6-4-8-23(21)27-15-11-22-20(17-27)7-5-12-25-22;1-25-15-19-16-27(13-10-21(19)24-25)22-7-5-6-17-14-18(8-9-20(17)22)23(28)26-11-3-2-4-12-26;1-16-24-20-15-26(13-10-22(20)28-16)21-7-5-6-17-14-18(8-9-19(17)21)23(27)25-11-3-2-4-12-25/h1-7,10,13-14H,8-9,11-12H2,(H,29,31);2,4-9,12-13H,3,10-11,14-15H2,1H3;2-8,13-14H,9-12H2,1H3,(H2,27,29);4-10,12,16H,1-3,11,13-15,17H2;5-9,14-15H,2-4,10-13,16H2,1H3;5-9,14H,2-4,10-13,15H2,1H3.
What are the key properties of 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone?
6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2386.78 g/mol, XLogP of 27.62, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4,4-difluoropiperidine-1-carbonyl)-2-fluoronaphthalen-1-yl]-2H-isoquinolin-1-one;4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-3-methylbenzamide;5-[6-(3,3-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-methyl-3H-isoindol-1-one;[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone;[5-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)naphthalen-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 163558772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).