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

C142H123F25N24O12 — CID 165002795

IUPAC1-[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
SMILESCCCNC(=O)c1cccc2c1CCN2c1cc(C(=O)c2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1.CCCNC(=O)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1C.O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(C(O)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(N2CCc3c(C(=O)NCCO)cccc32)n1
InChIInChI=1S/C25H24F4N4O.C24H21F5N4O.C24H20F4N4O2.C23H20F4N4O3.C23H18F4N4O3.C23H20F4N4O2/c1-3-8-30-24(34)21-5-4-6-22-20(21)7-9-33(22)23-15(2)17(14-31-32-23)10-16-11-18(25(27,28)29)13-19(26)12-16;1-2-8-30-22(34)18-4-3-5-20-17(18)7-10-33(20)23-31-9-6-19(32-23)21(26)14-11-15(24(27,28)29)13-16(25)12-14;1-2-7-29-23(34)18-4-3-5-20-17(18)6-8-32(20)21-12-19(30-13-31-21)22(33)14-9-15(24(26,27)28)11-16(25)10-14;2*24-15-11-13(10-14(12-15)23(25,26)27)20(33)18-4-6-29-22(30-18)31-8-5-16-17(2-1-3-19(16)31)21(34)28-7-9-32;24-16-11-14(10-15(13-16)23(25,26)27)12-20-28-6-4-21(30-20)31-8-5-17-18(2-1-3-19(17)31)22(33)29-7-9-32/h4-6,11-14H,3,7-10H2,1-2H3,(H,30,34);3-6,9,11-13,21H,2,7-8,10H2,1H3,(H,30,34);3-5,9-13H,2,6-8H2,1H3,(H,29,34);1-4,6,10-12,20,32-33H,5,7-9H2,(H,28,34);1-4,6,10-12,32H,5,7-9H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,29,33)
InChIKeyIMVGUCSYDOWOTC-UHFFFAOYSA-N
MW2832.65 g/mol
LogP25.65
Rot. Bonds36

About 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

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 (PubChem CID 165002795) has the molecular formula C142H123F25N24O12 and a molecular weight of 2832.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID165002795
Molecular FormulaC142H123F25N24O12
Molecular Weight2832.65 g/mol
Exact Mass2830.94
IUPAC Name1-[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
SMILESCCCNC(=O)c1cccc2c1CCN2c1cc(C(=O)c2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1.CCCNC(=O)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1C.O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(C(O)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(N2CCc3c(C(=O)NCCO)cccc32)n1
InChIInChI=1S/C25H24F4N4O.C24H21F5N4O.C24H20F4N4O2.C23H20F4N4O3.C23H18F4N4O3.C23H20F4N4O2/c1-3-8-30-24(34)21-5-4-6-22-20(21)7-9-33(22)23-15(2)17(14-31-32-23)10-16-11-18(25(27,28)29)13-19(26)12-16;1-2-8-30-22(34)18-4-3-5-20-17(18)7-10-33(20)23-31-9-6-19(32-23)21(26)14-11-15(24(27,28)29)13-16(25)12-14;1-2-7-29-23(34)18-4-3-5-20-17(18)6-8-32(20)21-12-19(30-13-31-21)22(33)14-9-15(24(26,27)28)11-16(25)10-14;2*24-15-11-13(10-14(12-15)23(25,26)27)20(33)18-4-6-29-22(30-18)31-8-5-16-17(2-1-3-19(16)31)21(34)28-7-9-32;24-16-11-14(10-15(13-16)23(25,26)27)12-20-28-6-4-21(30-20)31-8-5-17-18(2-1-3-19(17)31)22(33)29-7-9-32/h4-6,11-14H,3,7-10H2,1-2H3,(H,30,34);3-6,9,11-13,21H,2,7-8,10H2,1H3,(H,30,34);3-5,9-13H,2,6-8H2,1H3,(H,29,34);1-4,6,10-12,20,32-33H,5,7-9H2,(H,28,34);1-4,6,10-12,32H,5,7-9H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,29,33)
InChIKeyIMVGUCSYDOWOTC-UHFFFAOYSA-N
XLogP25.65
TPSA463.78 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002832.65
LogP ≤ 525.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

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2-[5-Fluoro-2-(hydroxymethyl)-3-[8-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-7-pentyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
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CID 154991766
(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
(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
acetic acid;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)pyrazole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinazoline
CID 157812956
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(=O)c1cccc2c1CCN2c1cc(C(=O)c2cc(F)cc(C(F)(F)F)c2)ncn1.CCCNC(=O)c1cccc2c1CCN2c1nccc(C(F)c2cc(F)cc(C(F)(F)F)c2)n1.CCCNC(=O)c1cccc2c1CCN2c1nncc(Cc2cc(F)cc(C(F)(F)F)c2)c1C.O=C(NCCO)c1cccc2c1CCN2c1ccnc(Cc2cc(F)cc(C(F)(F)F)c2)n1.O=C(NCCO)c1cccc2c1CCN2c1nccc(C(O)c2cc(F)cc(C(F)(F)F)c2)n1.O=C(c1cc(F)cc(C(F)(F)F)c1)c1ccnc(N2CCc3c(C(=O)NCCO)cccc32)n1.
What is the InChIKey of 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?
The InChIKey is IMVGUCSYDOWOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O.C24H21F5N4O.C24H20F4N4O2.C23H20F4N4O3.C23H18F4N4O3.C23H20F4N4O2/c1-3-8-30-24(34)21-5-4-6-22-20(21)7-9-33(22)23-15(2)17(14-31-32-23)10-16-11-18(25(27,28)29)13-19(26)12-16;1-2-8-30-22(34)18-4-3-5-20-17(18)7-10-33(20)23-31-9-6-19(32-23)21(26)14-11-15(24(27,28)29)13-16(25)12-14;1-2-7-29-23(34)18-4-3-5-20-17(18)6-8-32(20)21-12-19(30-13-31-21)22(33)14-9-15(24(26,27)28)11-16(25)10-14;2*24-15-11-13(10-14(12-15)23(25,26)27)20(33)18-4-6-29-22(30-18)31-8-5-16-17(2-1-3-19(16)31)21(34)28-7-9-32;24-16-11-14(10-15(13-16)23(25,26)27)12-20-28-6-4-21(30-20)31-8-5-17-18(2-1-3-19(17)31)22(33)29-7-9-32/h4-6,11-14H,3,7-10H2,1-2H3,(H,30,34);3-6,9,11-13,21H,2,7-8,10H2,1H3,(H,30,34);3-5,9-13H,2,6-8H2,1H3,(H,29,34);1-4,6,10-12,20,32-33H,5,7-9H2,(H,28,34);1-4,6,10-12,32H,5,7-9H2,(H,28,34);1-4,6,10-11,13,32H,5,7-9,12H2,(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 2832.65 g/mol, XLogP of 25.65, 36 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165002795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).