3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide

C130H118F7N25O8 — CID 172958201

IUPAC3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(C(=O)Cc2cccc(C(C)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1.Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(C)(F)F)[nH]4)c3)ccc21
InChIInChI=1S/C28H24F2N6O.C27H27N5O2.C27H25N5O2.C25H19F5N6O.C23H23N3O2/c1-17-9-10-19(24(37)13-18-6-4-8-21(12-18)28(2,29)30)14-23(17)33-26-22-16-32-36(3)27(22)35-25(34-26)20-7-5-11-31-15-20;1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23;1-24(26,27)21-13-32-22(35-21)19-12-17(9-10-31-19)37-16-7-8-20-18(11-16)34-23(36(20)2)33-15-5-3-14(4-6-15)25(28,29)30;1-16-10-12-17(13-11-16)22(27)24-19-7-5-8-20(15-19)25-23(28)18-6-4-9-21(14-18)26(2)3/h4-12,14-16H,13H2,1-3H3,(H,33,34,35);3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);5-14,16,30H,1-4H3,(H,31,33);3-13H,1-2H3,(H,32,35)(H,33,34);4-15H,1-3H3,(H,24,27)(H,25,28)/b;31-24+;;;
InChIKeySTPKEJSSVHVVMI-QVUPGWAWSA-N
MW2291.53 g/mol
LogP27.51
Rot. Bonds30

About 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide

3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 172958201) has the molecular formula C130H118F7N25O8 and a molecular weight of 2291.53 g/mol. Its IUPAC name is 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide
PubChem CID172958201
Molecular FormulaC130H118F7N25O8
Molecular Weight2291.53 g/mol
Exact Mass2289.95
IUPAC Name3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(C(=O)Cc2cccc(C(C)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1.Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(C)(F)F)[nH]4)c3)ccc21
InChIInChI=1S/C28H24F2N6O.C27H27N5O2.C27H25N5O2.C25H19F5N6O.C23H23N3O2/c1-17-9-10-19(24(37)13-18-6-4-8-21(12-18)28(2,29)30)14-23(17)33-26-22-16-32-36(3)27(22)35-25(34-26)20-7-5-11-31-15-20;1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23;1-24(26,27)21-13-32-22(35-21)19-12-17(9-10-31-19)37-16-7-8-20-18(11-16)34-23(36(20)2)33-15-5-3-14(4-6-15)25(28,29)30;1-16-10-12-17(13-11-16)22(27)24-19-7-5-8-20(15-19)25-23(28)18-6-4-9-21(14-18)26(2)3/h4-12,14-16H,13H2,1-3H3,(H,33,34,35);3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);5-14,16,30H,1-4H3,(H,31,33);3-13H,1-2H3,(H,32,35)(H,33,34);4-15H,1-3H3,(H,24,27)(H,25,28)/b;31-24+;;;
InChIKeySTPKEJSSVHVVMI-QVUPGWAWSA-N
XLogP27.51
TPSA414.12 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.53
LogP ≤ 527.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide with MolForge

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Related Compounds

6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;5-amino-1-[(3R)-1-methylpiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;N-[3-[5-chloro-2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[4-(morpholine-4-carbonyl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 158503580
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;5-amino-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazole-4-carboxamide;N-[4-(6-aminopurin-9-yl)phenyl]-2-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide;methyl N-[6-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]-3H-indol-2-yl]carbamate;N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[(5-oxo-8H-quinazolin-4-yl)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-(4-pyridin-4-yloxyphenyl)-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 160464199
CID 165016796
CID 165016796
CID 167661945
CID 167661945
N-(6-amino-5-chloro-3-pyridinyl)-2-methyl-5-[(3-methylbenzoyl)amino]benzamide;3-tert-butyl-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;[2,6-difluoro-3-[(methylidene-oxo-propan-2-yl-lambda6-sulfanyl)amino]phenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 172954786
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;4-[3-fluoro-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 172957479
CID 157351659
CID 157351659
6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-(4-phenoxyphenyl)pyrazole-4-carboxamide;(Z)-1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-cyclopropyl-2-isocyanoprop-2-en-1-one;(E)-4-(dimethylamino)-N-[7-fluoro-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]-N-methylbut-2-enamide;N-[3-[[5-fluoro-2-(4-propoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-N-[4-methyl-3-[2-[2-[3-(4-oxohex-5-enoylamino)anilino]pyrimidin-5-yl]acetyl]phenyl]benzamide
CID 159267862
4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;3-(imidazo[4,5-c]pyridin-1-ylmethyl)-6-phenylimidazo[1,2-b]pyridazine;7-methoxy-4-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methoxy]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-3H-quinazolin-4-one;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]triazolo[4,5-c]pyridine;6-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]isoquinoline
CID 160541812
1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide
CID 160943433
1-[[3-(aminomethyl)phenyl]methyl]-2-butylimidazo[4,5-c]quinolin-4-amine;5-(5-aminopentyl)-3-pentylquinolin-2-amine;5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-methyl-3-methylidene-2,4-dihydro-1H-quinolin-8-yl)pentan-1-one;N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;bis(N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide);2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]aniline;N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-2-methyl-3-methylidene-2,4-dihydro-1H-quinoline-8-carboxamide;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone
CID 167594629

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide (CID 172958201) is 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CC/C4=N\O)c(-c3ccncc3)[nH]2)cc1.Cc1ccc(C(=O)Cc2cccc(C(C)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C.Cc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N(C)C)c3)c2)cc1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1.Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(C)(F)F)[nH]4)c3)ccc21.
What is the InChIKey of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is STPKEJSSVHVVMI-QVUPGWAWSA-N. The full InChI is InChI=1S/C28H24F2N6O.C27H27N5O2.C27H25N5O2.C25H19F5N6O.C23H23N3O2/c1-17-9-10-19(24(37)13-18-6-4-8-21(12-18)28(2,29)30)14-23(17)33-26-22-16-32-36(3)27(22)35-25(34-26)20-7-5-11-31-15-20;1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33;1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23;1-24(26,27)21-13-32-22(35-21)19-12-17(9-10-31-19)37-16-7-8-20-18(11-16)34-23(36(20)2)33-15-5-3-14(4-6-15)25(28,29)30;1-16-10-12-17(13-11-16)22(27)24-19-7-5-8-20(15-19)25-23(28)18-6-4-9-21(14-18)26(2)3/h4-12,14-16H,13H2,1-3H3,(H,33,34,35);3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30);5-14,16,30H,1-4H3,(H,31,33);3-13H,1-2H3,(H,32,35)(H,33,34);4-15H,1-3H3,(H,24,27)(H,25,28)/b;31-24+;;;.
What are the key properties of 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide?
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide has a molecular weight of 2291.53 g/mol, XLogP of 27.51, 30 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide;5-[[2-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1-methyl-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanone;(NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine;3-(dimethylamino)-N-[3-[(4-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 172958201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).