1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)

C116H117F3N18O10 — CID 165108587

IUPAC1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)
SMILESCc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1
InChIInChI=1S/C24H26N4O2.2C24H25N3O2.C22H20F2N4O2.C22H21FN4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29;2*1-17-5-2-6-18(13-17)14-19-15-24(26-16-25-19)27-11-10-20-21(7-3-8-22(20)27)23(29)9-4-12-28;23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29;23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30);2*2-3,5-8,13,15-16,28H,4,9-12,14H2,1H3;1-3,8-9,11-13,29H,4-7,10H2,(H,25,30);1-6,11,13-14,28H,7-10,12H2,(H,24,29)
InChIKeyZOJKTQCZBZHCEG-UHFFFAOYSA-N
MW1980.32 g/mol
LogP16.54
Rot. Bonds32

About 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)

1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) (PubChem CID 165108587) has the molecular formula C116H117F3N18O10 and a molecular weight of 1980.32 g/mol. Its IUPAC name is 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one).

Molecular Properties

Compound Name1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)
PubChem CID165108587
Molecular FormulaC116H117F3N18O10
Molecular Weight1980.32 g/mol
Exact Mass1978.92
IUPAC Name1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)
SMILESCc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1
InChIInChI=1S/C24H26N4O2.2C24H25N3O2.C22H20F2N4O2.C22H21FN4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29;2*1-17-5-2-6-18(13-17)14-19-15-24(26-16-25-19)27-11-10-20-21(7-3-8-22(20)27)23(29)9-4-12-28;23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29;23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30);2*2-3,5-8,13,15-16,28H,4,9-12,14H2,1H3;1-3,8-9,11-13,29H,4-7,10H2,(H,25,30);1-6,11,13-14,28H,7-10,12H2,(H,24,29)
InChIKeyZOJKTQCZBZHCEG-UHFFFAOYSA-N
XLogP16.54
TPSA367.69 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001980.32
LogP ≤ 516.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide;1,5-dimethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;2-(5-fluoro-3-pyridinyl)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanone;1-[1-(2-hydroxyethyl)-5-methylindol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;1-[1-methyl-5-(1-methylpyrazol-4-yl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;1-[1-methyl-5-(trifluoromethyl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 158078160
1,5-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide;1,5-dimethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;1-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(5-fluoro-3-pyridinyl)-1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanone;1-[1-methyl-5-(1-methylpyrazol-4-yl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone;1-[1-methyl-5-(trifluoromethyl)indol-3-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]ethanone
CID 159585185
2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-5-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 160468675
bis(2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);bis(2-[4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-1-(3-methylphenyl)ethanone);4-[(4-methylpiperazin-1-yl)methyl]-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 160564269
CID 160827196
CID 160827196
2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 161379577
N-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(3-methylpyrrol-1-yl)phenyl]-3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzamide;(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(3-methylpyrrol-1-yl)phenyl]methyl]piperidine-2-carboxamide;(2S)-1-[[3-[[3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methylbenzoyl]amino]-5-(3-methylpyrrol-1-yl)phenyl]methyl]piperidine-2-carboxylic acid;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;5-methyl-2-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]-6-[(4-pyridin-3-ylpyrimidin-2-yl)amino]isoindole-1,3-dione
CID 161819695
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 164952501
N-(2-fluoropropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;4-hydroxy-1-[2-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]butan-1-one;N-(2-methoxyethyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]benzamide;1-[4-methyl-3-[[4-[(3-methylphenyl)methyl]-2-pyridinyl]amino]phenyl]pentan-1-one;piperidin-1-yl-[3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]methyl]phenyl]methanone
CID 164967983
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 165002795
1-[6-[fluoro-(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;N-(2-hydroxyethyl)-1-[6-(3-methylbenzoyl)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide;N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide;N-(2-hydroxyethyl)-1-[6-[(4-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide;N-propyl-1-[6-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 165038292
1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 165048928

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)?
The IUPAC name of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) (CID 165108587) is 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one).
What is the SMILES notation for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)?
The canonical SMILES for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) is Cc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.Cc1cccc(Cc2cc(N3CCc4c(C(=O)CCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cccc(F)c2)ncn1.
What is the InChIKey of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)?
The InChIKey is ZOJKTQCZBZHCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.2C24H25N3O2.C22H20F2N4O2.C22H21FN4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29;2*1-17-5-2-6-18(13-17)14-19-15-24(26-16-25-19)27-11-10-20-21(7-3-8-22(20)27)23(29)9-4-12-28;23-15-8-14(9-16(24)11-15)10-17-12-21(27-13-26-17)28-6-4-18-19(2-1-3-20(18)28)22(30)25-5-7-29;23-16-4-1-3-15(11-16)12-17-13-21(26-14-25-17)27-9-7-18-19(5-2-6-20(18)27)22(29)24-8-10-28/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30);2*2-3,5-8,13,15-16,28H,4,9-12,14H2,1H3;1-3,8-9,11-13,29H,4-7,10H2,(H,25,30);1-6,11,13-14,28H,7-10,12H2,(H,24,29).
What are the key properties of 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one)?
1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) has a molecular weight of 1980.32 g/mol, XLogP of 16.54, 32 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,5-difluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;bis(4-hydroxy-1-[1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]butan-1-one) is sourced from PubChem (CID 165108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).