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

C138H123ClF20N24O13 — CID 165048928

IUPAC1-[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
SMILESCc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(C(O)c2cc(F)cc(C(F)(F)F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.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/C23H19ClF4N4O2.C23H20F4N4O3.3C23H20F4N4O2.C23H24N4O2/c24-20-14(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;24-15-9-13(8-14(10-15)23(25,26)27)21(33)18-11-20(30-12-29-18)31-6-4-16-17(2-1-3-19(16)31)22(34)28-5-7-32;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;24-16-9-14(8-15(11-16)23(25,26)27)10-17-12-21(30-13-29-17)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;24-17-10-14(9-16(12-17)23(25,26)27)8-15-11-21(30-29-13-15)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h1-3,9-12,33H,4-8H2,(H,29,34);1-3,8-12,21,32-33H,4-7H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33);1-3,8-9,11-13,32H,4-7,10H2,(H,28,33);1-3,9-13,32H,4-8H2,(H,28,33);2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyPIVIUKPAVWBVDX-UHFFFAOYSA-N
MW2741.07 g/mol
LogP21.14
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-[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

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 (PubChem CID 165048928) has the molecular formula C138H123ClF20N24O13 and a molecular weight of 2741.07 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-[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.

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-[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
PubChem CID165048928
Molecular FormulaC138H123ClF20N24O13
Molecular Weight2741.07 g/mol
Exact Mass2738.91
IUPAC Name1-[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
SMILESCc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(C(O)c2cc(F)cc(C(F)(F)F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.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/C23H19ClF4N4O2.C23H20F4N4O3.3C23H20F4N4O2.C23H24N4O2/c24-20-14(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;24-15-9-13(8-14(10-15)23(25,26)27)21(33)18-11-20(30-12-29-18)31-6-4-16-17(2-1-3-19(16)31)22(34)28-5-7-32;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;24-16-9-14(8-15(11-16)23(25,26)27)10-17-12-21(30-13-29-17)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;24-17-10-14(9-16(12-17)23(25,26)27)8-15-11-21(30-29-13-15)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h1-3,9-12,33H,4-8H2,(H,29,34);1-3,8-12,21,32-33H,4-7H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33);1-3,8-9,11-13,32H,4-7,10H2,(H,28,33);1-3,9-13,32H,4-8H2,(H,28,33);2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyPIVIUKPAVWBVDX-UHFFFAOYSA-N
XLogP21.14
TPSA490.33 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002741.07
LogP ≤ 521.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

(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)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-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 157314601
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158195131
N-cyclohexyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158754001
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;2-fluoro-N-methyl-4-[[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]carbamoylamino]benzamide;1-[4-[7-(2-hydroxypropan-2-yl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea;1-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea;1-[4-[4-morpholin-4-yl-7-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]-3-pyridin-3-ylurea
CID 159695567
CID 159983085
CID 159983085
lithium;magnesium;alumane;carbanide;dioxomanganese;2-fluoro-N-(6-formyl-2-phenylindazol-3-yl)-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-N-[6-(2-hydroxyacetyl)-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-N-[6-(1-hydroxyethyl)-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;hydride;methane;oxolane;bromide
CID 160122645
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;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;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160602594
CID 161226870
CID 161226870
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 161345353
N-[6-(aminomethyl)-2-phenylindazol-3-yl]-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;6-ethyl-2-phenylindazol-3-amine;N-(6-ethyl-2-phenylindazol-3-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-N-[6-[[(2-hydroxyacetyl)amino]methyl]-2-phenylindazol-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoic acid;2-hydroxyacetic acid;phosphoryl trichloride;hydrochloride
CID 161716877
(3S,4R)-1-[2-[(2S)-1-(2-chlorobenzoyl)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-[6-(hydroxymethyl)pyridine-2-carbonyl]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 161849919
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

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-[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?
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-[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) is 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.
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-[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?
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-[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 is Cc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.O=C(NCCO)c1cccc2c1CCN2c1cc(C(O)c2cc(F)cc(C(F)(F)F)c2)ncn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)cnn1.O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(C(F)(F)F)c2)ncn1.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-[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?
The InChIKey is PIVIUKPAVWBVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF4N4O2.C23H20F4N4O3.3C23H20F4N4O2.C23H24N4O2/c24-20-14(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;24-15-9-13(8-14(10-15)23(25,26)27)21(33)18-11-20(30-12-29-18)31-6-4-16-17(2-1-3-19(16)31)22(34)28-5-7-32;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;24-16-9-14(8-15(11-16)23(25,26)27)10-17-12-21(30-13-29-17)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;24-17-10-14(9-16(12-17)23(25,26)27)8-15-11-21(30-29-13-15)31-6-4-18-19(2-1-3-20(18)31)22(33)28-5-7-32;1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h1-3,9-12,33H,4-8H2,(H,29,34);1-3,8-12,21,32-33H,4-7H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,28,33);1-3,8-9,11-13,32H,4-7,10H2,(H,28,33);1-3,9-13,32H,4-8H2,(H,28,33);2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29).
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-[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?
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 has a molecular weight of 2741.07 g/mol, XLogP of 21.14, 36 rotatable bonds, 13 hydrogen bond donors, and 31 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-[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 is sourced from PubChem (CID 165048928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).