1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

C164H149F4N21O22 — CID 159670457

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.COc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1C(F)(F)F.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1F
InChIInChI=1S/C21H22N2O2.C20H21N3O2.C19H19NO3.C19H17NO3.C18H16N2O3.C17H12F3N3O2.C17H15N3O3.C17H15N3O2.C16H12FN3O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-13-4-2-10-20-19(13)17(22)8-7-16(21)14-6-9-18-15(12-14)5-3-11-23-18;21-12-13-5-1-2-6-14(13)18(22)9-10-19(23)16-11-20-17-8-4-3-7-15(16)17;21-11-12-5-1-2-6-13(12)16(22)9-10-17(23)18-14-7-3-4-8-15(14)19-20-18;18-17(19,20)11-5-3-9-21-16(11)14(25)8-7-13(24)15-10-4-1-2-6-12(10)22-23-15;1-23-15-7-4-10-18-17(15)14(22)9-8-13(21)16-11-5-2-3-6-12(11)19-20-16;1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17;17-11-5-3-9-18-16(11)14(22)8-7-13(21)15-10-4-1-2-6-12(10)19-20-15/h3-10,13,22H,11-12,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);2,4,6,9-10,12H,3,5,7-8,11H2,1H3;1-8,11,20-21H,9-10,12H2;1-8,21H,9-11H2,(H,19,20);1-6,9H,7-8H2,(H,22,23);2-7,10H,8-9H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);1-6,9H,7-8H2,(H,19,20)
InChIKeyMTXYKAOWAYHUSY-UHFFFAOYSA-N
MW2842.11 g/mol
LogP30.20
Rot. Bonds52

About 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 159670457) has the molecular formula C164H149F4N21O22 and a molecular weight of 2842.11 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
PubChem CID159670457
Molecular FormulaC164H149F4N21O22
Molecular Weight2842.11 g/mol
Exact Mass2840.11
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.COc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1C(F)(F)F.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1F
InChIInChI=1S/C21H22N2O2.C20H21N3O2.C19H19NO3.C19H17NO3.C18H16N2O3.C17H12F3N3O2.C17H15N3O3.C17H15N3O2.C16H12FN3O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-13-4-2-10-20-19(13)17(22)8-7-16(21)14-6-9-18-15(12-14)5-3-11-23-18;21-12-13-5-1-2-6-14(13)18(22)9-10-19(23)16-11-20-17-8-4-3-7-15(16)17;21-11-12-5-1-2-6-13(12)16(22)9-10-17(23)18-14-7-3-4-8-15(14)19-20-18;18-17(19,20)11-5-3-9-21-16(11)14(25)8-7-13(24)15-10-4-1-2-6-12(10)22-23-15;1-23-15-7-4-10-18-17(15)14(22)9-8-13(21)16-11-5-2-3-6-12(11)19-20-16;1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17;17-11-5-3-9-18-16(11)14(22)8-7-13(21)15-10-4-1-2-6-12(10)19-20-15/h3-10,13,22H,11-12,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);2,4,6,9-10,12H,3,5,7-8,11H2,1H3;1-8,11,20-21H,9-10,12H2;1-8,21H,9-11H2,(H,19,20);1-6,9H,7-8H2,(H,22,23);2-7,10H,8-9H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);1-6,9H,7-8H2,(H,19,20)
InChIKeyMTXYKAOWAYHUSY-UHFFFAOYSA-N
XLogP30.20
TPSA640.77 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002842.11
LogP ≤ 530.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione with MolForge

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157075936
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
CID 157193882
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157572346
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;methane;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157632932
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157738017
CID 158088129
CID 158088129
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158170368
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158278466
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 158399370
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazol-5-yl]-2-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]ethanone;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 158414477
5-(5-amino-3-pyridinyl)-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 158431910
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(4-methylphenoxy)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 158710171

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 159670457) is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is CN(C)Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12.CN(C)Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12.COc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccnc1C(=O)CCC(=O)c1n[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ccccc1CO.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1C(F)(F)F.O=C(CCC(=O)c1n[nH]c2ccccc12)c1ncccc1F.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The InChIKey is MTXYKAOWAYHUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.C20H21N3O2.C19H19NO3.C19H17NO3.C18H16N2O3.C17H12F3N3O2.C17H15N3O3.C17H15N3O2.C16H12FN3O2/c1-23(2)14-15-7-3-4-8-16(15)20(24)11-12-21(25)18-13-22-19-10-6-5-9-17(18)19;1-23(2)13-14-7-3-4-8-15(14)18(24)11-12-19(25)20-16-9-5-6-10-17(16)21-22-20;1-13-4-2-10-20-19(13)17(22)8-7-16(21)14-6-9-18-15(12-14)5-3-11-23-18;21-12-13-5-1-2-6-14(13)18(22)9-10-19(23)16-11-20-17-8-4-3-7-15(16)17;21-11-12-5-1-2-6-13(12)16(22)9-10-17(23)18-14-7-3-4-8-15(14)19-20-18;18-17(19,20)11-5-3-9-21-16(11)14(25)8-7-13(24)15-10-4-1-2-6-12(10)22-23-15;1-23-15-7-4-10-18-17(15)14(22)9-8-13(21)16-11-5-2-3-6-12(11)19-20-16;1-11-5-4-10-18-16(11)14(21)8-9-15(22)17-12-6-2-3-7-13(12)19-20-17;17-11-5-3-9-18-16(11)14(22)8-7-13(21)15-10-4-1-2-6-12(10)19-20-15/h3-10,13,22H,11-12,14H2,1-2H3;3-10H,11-13H2,1-2H3,(H,21,22);2,4,6,9-10,12H,3,5,7-8,11H2,1H3;1-8,11,20-21H,9-10,12H2;1-8,21H,9-11H2,(H,19,20);1-6,9H,7-8H2,(H,22,23);2-7,10H,8-9H2,1H3,(H,19,20);2-7,10H,8-9H2,1H3,(H,19,20);1-6,9H,7-8H2,(H,19,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 2842.11 g/mol, XLogP of 30.20, 52 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indazol-3-yl)butane-1,4-dione;1-[2-(hydroxymethyl)phenyl]-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 159670457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).