3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide

C119H127FN18O8 — CID 159191953

IUPAC3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide
SMILESCOCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3ccc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3ccc(C)c3)c2)cc1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)c1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C33H31FN6O2.C32H36N4O3.C30H32N4O2.C24H28N4O/c1-22-10-12-40(21-22)29-19-27(18-28(20-29)39-13-15-42-16-14-39)36-32(41)25-4-3-23(2)31(17-25)38-33-35-11-9-30(37-33)24-5-7-26(34)8-6-24;1-24-11-12-36(23-24)29-21-27(20-28(22-29)35-15-13-34(14-16-35)17-18-38-3)33-32(37)26-10-9-25(2)31(19-26)39-30-7-5-4-6-8-30;1-22-11-12-34(21-22)27-19-25(18-26(20-27)33-15-13-32(3)14-16-33)31-30(35)24-10-9-23(2)29(17-24)36-28-7-5-4-6-8-28;1-18-4-6-20(7-5-18)24(29)25-21-14-22(27-12-10-26(3)11-13-27)16-23(15-21)28-9-8-19(2)17-28/h3-12,17-21H,13-16H2,1-2H3,(H,36,41)(H,35,37,38);4-12,19-23H,13-18H2,1-3H3,(H,33,37);4-12,17-21H,13-16H2,1-3H3,(H,31,35);4-9,14-17H,10-13H2,1-3H3,(H,25,29)
InChIKeyKOERZPYTRZSJJU-UHFFFAOYSA-N
MW1956.44 g/mol
LogP22.42
Rot. Bonds26

About 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide

3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide (PubChem CID 159191953) has the molecular formula C119H127FN18O8 and a molecular weight of 1956.44 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide
PubChem CID159191953
Molecular FormulaC119H127FN18O8
Molecular Weight1956.44 g/mol
Exact Mass1955.01
IUPAC Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide
SMILESCOCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3ccc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3ccc(C)c3)c2)cc1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)c1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C33H31FN6O2.C32H36N4O3.C30H32N4O2.C24H28N4O/c1-22-10-12-40(21-22)29-19-27(18-28(20-29)39-13-15-42-16-14-39)36-32(41)25-4-3-23(2)31(17-25)38-33-35-11-9-30(37-33)24-5-7-26(34)8-6-24;1-24-11-12-36(23-24)29-21-27(20-28(22-29)35-15-13-34(14-16-35)17-18-38-3)33-32(37)26-10-9-25(2)31(19-26)39-30-7-5-4-6-8-30;1-22-11-12-34(21-22)27-19-25(18-26(20-27)33-15-13-32(3)14-16-33)31-30(35)24-10-9-23(2)29(17-24)36-28-7-5-4-6-8-28;1-18-4-6-20(7-5-18)24(29)25-21-14-22(27-12-10-26(3)11-13-27)16-23(15-21)28-9-8-19(2)17-28/h3-12,17-21H,13-16H2,1-2H3,(H,36,41)(H,35,37,38);4-12,19-23H,13-18H2,1-3H3,(H,33,37);4-12,17-21H,13-16H2,1-3H3,(H,31,35);4-9,14-17H,10-13H2,1-3H3,(H,25,29)
InChIKeyKOERZPYTRZSJJU-UHFFFAOYSA-N
XLogP22.42
TPSA233.53 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001956.44
LogP ≤ 522.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide with MolForge

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Related Compounds

3-[[6-[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 90971367
3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-N,2-dimethylanilino]pyrimido[5,4-d]pyrimidin-1-ium-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[methyl-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]methyl]-6-(oxolan-3-ylamino)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]-methylamino]-4-methylbenzamide
CID 90990081
(1R,2S)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]anilino]pyrimidin-4-yl]pyridin-3-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[2.2.1]hepta-4(7),5-diene-2-carboxamide
CID 144886665
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
3-[(4-ethylpyrimidin-2-yl)amino]-4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-fluoro-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methoxy-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;4-methyl-3-[(4-phenyl-2-pyridinyl)amino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-5-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 157753450
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;N-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide;4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;4-methyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3-[[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]amino]benzamide;N-[3-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 157977805
4-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one;hydrochloride
CID 158249133
3-[(4-acetamidopyrimidin-2-yl)amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(1,1-difluoroethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-phenylpyrimidin-2-yl)amino]benzenesulfonamide
CID 158263184
4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
CID 158968858
3-(cyclohexen-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[4-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;methyl 3-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoate;3-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-pyrimidin-5-ylbenzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide;N-[5-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]benzamide
CID 159277482
5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3R)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide;5-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-2-fluoro-4-methyl-N-[2-[1-[(3S)-1-methylpyrrolidin-3-yl]ethyl]-5-(trifluoromethyl)phenyl]benzamide
CID 159717508
N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 159863229

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide (CID 159191953) is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide is COCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3ccc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3ccc(C)c3)c2)cc1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)c1.Cc1ccn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide?
The InChIKey is KOERZPYTRZSJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN6O2.C32H36N4O3.C30H32N4O2.C24H28N4O/c1-22-10-12-40(21-22)29-19-27(18-28(20-29)39-13-15-42-16-14-39)36-32(41)25-4-3-23(2)31(17-25)38-33-35-11-9-30(37-33)24-5-7-26(34)8-6-24;1-24-11-12-36(23-24)29-21-27(20-28(22-29)35-15-13-34(14-16-35)17-18-38-3)33-32(37)26-10-9-25(2)31(19-26)39-30-7-5-4-6-8-30;1-22-11-12-34(21-22)27-19-25(18-26(20-27)33-15-13-32(3)14-16-33)31-30(35)24-10-9-23(2)29(17-24)36-28-7-5-4-6-8-28;1-18-4-6-20(7-5-18)24(29)25-21-14-22(27-12-10-26(3)11-13-27)16-23(15-21)28-9-8-19(2)17-28/h3-12,17-21H,13-16H2,1-2H3,(H,36,41)(H,35,37,38);4-12,19-23H,13-18H2,1-3H3,(H,33,37);4-12,17-21H,13-16H2,1-3H3,(H,31,35);4-9,14-17H,10-13H2,1-3H3,(H,25,29).
What are the key properties of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide?
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide has a molecular weight of 1956.44 g/mol, XLogP of 22.42, 26 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(3-methylpyrrol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(3-methylpyrrol-1-yl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 159191953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).