1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide

C141H129ClF20N24O9 — CID 165093665

IUPAC1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide
SMILESCCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/2C24H22F4N4O.C24H26N4O.C23H19ClF4N4O2.2C23H20F4N4O2/c1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15;1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-12-16(14-30-31-22)9-15-10-17(24(26,27)28)13-18(25)11-15;1-3-11-25-24(29)21-8-5-9-22-20(21)10-12-28(22)23-15-19(26-16-27-23)14-18-7-4-6-17(2)13-18;24-20-14(8-13-9-15(23(26,27)28)11-16(25)10-13)12-30-31-21(20)32-6-4-17-18(2-1-3-19(17)32)22(34)29-5-7-33;2*24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h3-5,9-10,12-14H,2,6-8,11H2,1H3,(H,29,33);3-5,10-14H,2,6-9H2,1H3,(H,29,33);4-9,13,15-16H,3,10-12,14H2,1-2H3,(H,25,29);1-3,9-12,33H,4-8H2,(H,29,34);2*1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33)
InChIKeyXDFLLWRZYBKHIW-UHFFFAOYSA-N
MW2719.15 g/mol
LogP25.91
Rot. Bonds36

About 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide

1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide (PubChem CID 165093665) has the molecular formula C141H129ClF20N24O9 and a molecular weight of 2719.15 g/mol. Its IUPAC name is 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide
PubChem CID165093665
Molecular FormulaC141H129ClF20N24O9
Molecular Weight2719.15 g/mol
Exact Mass2716.97
IUPAC Name1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide
SMILESCCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1Cl
InChIInChI=1S/2C24H22F4N4O.C24H26N4O.C23H19ClF4N4O2.2C23H20F4N4O2/c1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15;1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-12-16(14-30-31-22)9-15-10-17(24(26,27)28)13-18(25)11-15;1-3-11-25-24(29)21-8-5-9-22-20(21)10-12-28(22)23-15-19(26-16-27-23)14-18-7-4-6-17(2)13-18;24-20-14(8-13-9-15(23(26,27)28)11-16(25)10-13)12-30-31-21(20)32-6-4-17-18(2-1-3-19(17)32)22(34)29-5-7-33;2*24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h3-5,9-10,12-14H,2,6-8,11H2,1H3,(H,29,33);3-5,10-14H,2,6-9H2,1H3,(H,29,33);4-9,13,15-16H,3,10-12,14H2,1-2H3,(H,25,29);1-3,9-12,33H,4-8H2,(H,29,34);2*1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33)
InChIKeyXDFLLWRZYBKHIW-UHFFFAOYSA-N
XLogP25.91
TPSA409.41 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.15
LogP ≤ 525.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide with MolForge

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Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157356270
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
bis(4-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine);4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;N-[4-methyl-3-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
CID 157369806
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157390910
5-[3,3-dimethyl-1-(1-methylpyrazol-3-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157505413
N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide;N-[2-(tert-butylcarbamoyl)-4-isocyano-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-1-yl)methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-N-[4-isocyano-2-methyl-6-(methylcarbamoyl)phenyl]-3-[(5-methyltetrazol-2-yl)methyl]pyrazole-5-carboxamide
CID 157608509
2-cyclobutyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-(3-fluoro-5-propan-2-yl-2-pyridinyl)morpholine;3-fluoro-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-5-propan-2-yl-2-pyridinyl)morpholine;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;4-propan-2-yl-1,3-dihydroindol-2-one;1-(3-propan-2-ylindol-1-yl)ethanone;5-propan-2-yl-2-pyridazin-4-ylpyrimidine;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;4-(5-propan-2-ylpyrimidin-2-yl)-1H-pyridin-2-one;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157617411
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-fluoropyrimidin-2-yl)phenyl]methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone;[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 157617989
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157644056

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide (CID 165093665) is 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide is CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1cc(Cc2cccc(C)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1Cl.
What is the InChIKey of 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is XDFLLWRZYBKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22F4N4O.C24H26N4O.C23H19ClF4N4O2.2C23H20F4N4O2/c1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-13-18(30-14-31-22)11-15-9-16(24(26,27)28)12-17(25)10-15;1-2-7-29-23(33)20-4-3-5-21-19(20)6-8-32(21)22-12-16(14-30-31-22)9-15-10-17(24(26,27)28)13-18(25)11-15;1-3-11-25-24(29)21-8-5-9-22-20(21)10-12-28(22)23-15-19(26-16-27-23)14-18-7-4-6-17(2)13-18;24-20-14(8-13-9-15(23(26,27)28)11-16(25)10-13)12-30-31-21(20)32-6-4-17-18(2-1-3-19(17)32)22(34)29-5-7-33;2*24-16-11-14(10-15(13-16)23(25,26)27)12-17-4-6-29-22(30-17)31-8-5-18-19(2-1-3-20(18)31)21(33)28-7-9-32/h3-5,9-10,12-14H,2,6-8,11H2,1H3,(H,29,33);3-5,10-14H,2,6-9H2,1H3,(H,29,33);4-9,13,15-16H,3,10-12,14H2,1-2H3,(H,25,29);1-3,9-12,33H,4-8H2,(H,29,34);2*1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33).
What are the key properties of 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide?
1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 2719.15 g/mol, XLogP of 25.91, 36 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;bis(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-propyl-2,3-dihydroindole-4-carboxamide;1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 165093665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).