4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide

C137H136ClN29O15 — CID 161478815

IUPAC4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1)C(O)c1ccccc1.CC(O)CNc1cc(-c2c[nH]c(C(=O)NC(CO)c3ccccc3)c2)ncn1.CN(CC(O)c1ccccc1)C(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1.O=C(NC(CO)c1ccccc1)c1cc(-c2cc(NC(CO)c3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Oc3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2cc(NCC3CC3)ncn2)c[nH]1
InChIInChI=1S/C25H25N5O3.2C24H23N5O2.C23H19ClN4O3.C21H23N5O2.C20H23N5O3/c31-14-22(17-7-3-1-4-8-17)29-24-12-20(27-16-28-24)19-11-21(26-13-19)25(33)30-23(15-32)18-9-5-2-6-10-18;1-29(15-22(30)17-8-4-2-5-9-17)24(31)21-12-18(14-25-21)20-13-23(27-16-26-20)28-19-10-6-3-7-11-19;1-16(23(30)17-8-4-2-5-9-17)28-24(31)21-12-18(14-25-21)20-13-22(27-15-26-20)29-19-10-6-3-7-11-19;24-17-8-6-15(7-9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-4-2-1-3-5-18;27-12-19(15-4-2-1-3-5-15)26-21(28)18-8-16(11-22-18)17-9-20(25-13-24-17)23-10-14-6-7-14;1-13(27)9-22-19-8-16(23-12-24-19)15-7-17(21-10-15)20(28)25-18(11-26)14-5-3-2-4-6-14/h1-13,16,22-23,26,31-32H,14-15H2,(H,30,33)(H,27,28,29);2-14,16,22,25,30H,15H2,1H3,(H,26,27,28);2-16,23,25,30H,1H3,(H,28,31)(H,26,27,29);1-12,14,21,25,29H,13H2,(H,28,30);1-5,8-9,11,13-14,19,22,27H,6-7,10,12H2,(H,26,28)(H,23,24,25);2-8,10,12-13,18,21,26-27H,9,11H2,1H3,(H,25,28)(H,22,23,24)/t;;;21-;19-;/m...11./s1
InChIKeyWEBQYQKCXISKSU-ZTHWTOBBSA-N
MW2464.24 g/mol
LogP20.03
Rot. Bonds46

About 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide

4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 161478815) has the molecular formula C137H136ClN29O15 and a molecular weight of 2464.24 g/mol. Its IUPAC name is 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID161478815
Molecular FormulaC137H136ClN29O15
Molecular Weight2464.24 g/mol
Exact Mass2462.05
IUPAC Name4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1)C(O)c1ccccc1.CC(O)CNc1cc(-c2c[nH]c(C(=O)NC(CO)c3ccccc3)c2)ncn1.CN(CC(O)c1ccccc1)C(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1.O=C(NC(CO)c1ccccc1)c1cc(-c2cc(NC(CO)c3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Oc3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2cc(NCC3CC3)ncn2)c[nH]1
InChIInChI=1S/C25H25N5O3.2C24H23N5O2.C23H19ClN4O3.C21H23N5O2.C20H23N5O3/c31-14-22(17-7-3-1-4-8-17)29-24-12-20(27-16-28-24)19-11-21(26-13-19)25(33)30-23(15-32)18-9-5-2-6-10-18;1-29(15-22(30)17-8-4-2-5-9-17)24(31)21-12-18(14-25-21)20-13-23(27-16-26-20)28-19-10-6-3-7-11-19;1-16(23(30)17-8-4-2-5-9-17)28-24(31)21-12-18(14-25-21)20-13-22(27-15-26-20)29-19-10-6-3-7-11-19;24-17-8-6-15(7-9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-4-2-1-3-5-18;27-12-19(15-4-2-1-3-5-15)26-21(28)18-8-16(11-22-18)17-9-20(25-13-24-17)23-10-14-6-7-14;1-13(27)9-22-19-8-16(23-12-24-19)15-7-17(21-10-15)20(28)25-18(11-26)14-5-3-2-4-6-14/h1-13,16,22-23,26,31-32H,14-15H2,(H,30,33)(H,27,28,29);2-14,16,22,25,30H,15H2,1H3,(H,26,27,28);2-16,23,25,30H,1H3,(H,28,31)(H,26,27,29);1-12,14,21,25,29H,13H2,(H,28,30);1-5,8-9,11,13-14,19,22,27H,6-7,10,12H2,(H,26,28)(H,23,24,25);2-8,10,12-13,18,21,26-27H,9,11H2,1H3,(H,25,28)(H,22,23,24)/t;;;21-;19-;/m...11./s1
InChIKeyWEBQYQKCXISKSU-ZTHWTOBBSA-N
XLogP20.03
TPSA646.45 Ų
H-Bond Donors24
H-Bond Acceptors32
Rotatable Bonds46
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.24
LogP ≤ 520.03
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1032

Analyze 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-2-amino-4-chloro-5-[[5-[3-(diethylamino)propyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-1H-pyrrole-3-carboxylic acid
CID 162212269
N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[5-[(2R)-2-(dimethylamino)butoxy]pyrimidin-4-yl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3R,4R)-4-(dimethylamino)oxolan-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[(3R,4S)-4-(dimethylamino)oxolan-3-yl]oxy-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-1-carboxamide;(3R)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;(3S)-N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylbutoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]-3-hydroxypiperidine-1-carboxamide;N-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-[(2R)-2-pyrrolidin-1-ylpropoxy]-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide
CID 157188488
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157310335
N-benzyl-4-(6-chloropyrimidin-4-yl)-3-phenyl-1H-pyrrole-2-carboxamide;4-(2-chloro-5-methyl-4-pyridinyl)-N-(1,2-dihydroxy-2-phenylethyl)-1H-pyrrole-2-carboxamide;N-[2-(3-chlorophenyl)-1,2-dihydroxyethyl]-4-(2-chloro-4-pyridinyl)-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-2-carboxamide;4-(6-chloropyrimidin-4-yl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 157524341
1-[3-chloro-5-[4-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-N-methylpyrimidine-4-carboxamide;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)amino]-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-[(6-methyl-3-pyridinyl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(pyridin-3-ylamino)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 158209163
(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxybutanoyl)-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[4-(4-methylpiperazin-1-yl)butanoyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(4-morpholin-4-ylbutanoyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[4-(propan-2-ylamino)butanoyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
CID 158218187
N,N-dimethyl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanamine;N',N'-dimethyl-N-(6-propan-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine;N-ethyl-6-propan-2-ylpyrazin-2-amine;4-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidine;1-methyl-2-propan-2-ylbenzimidazole;methyl 2-(2-propan-2-ylbenzimidazol-1-yl)acetate;methyl 1-propan-2-yl-2,3-dihydroindole-2-carboxylate;2-[methyl-(6-propan-2-ylpyrazin-2-yl)amino]ethanol;bis(2-(3-methylpyrrolidin-1-yl)-6-propan-2-ylpyrazine);2-propan-2-yl-1H-benzimidazole;1-(2-propan-2-ylbenzimidazol-1-yl)butan-2-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-3-yloxypyrazine
CID 158221814
[4-(2-chloro-5-methyl-4-pyridinyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone;[4-(2-chloro-4-pyridinyl)-1H-pyrrol-2-yl]-piperazin-1-ylmethanone;ethyl 4-(2-chloro-5-hydroxy-4-pyridinyl)-3-methyl-1H-pyrrole-2-carboxylate;ethyl 4-(2-chloro-4-pyridinyl)-1H-pyrrole-2-carboxylate;ethyl 4-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 158512379
5-chloro-N-cyclohexyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[5-chloro-7-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-7-[2-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 158785057
6-(4-chlorophenyl)-3-[6-(3-methylazetidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;N-[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-ethylacetamide;[2-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]-methanimidoylamino]-2-methoxyphenoxy]-1-cyclopropylethyl] (2S)-2,3-dimethylbutanoate;6-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one;methyl N-[1-[5-[6-(4-chlorophenyl)-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 158935610
(5Z)-2-amino-4-chloro-5-[[5-[(4S)-4,5-dihydroxypentanoyl]-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-[[5-(4-hydroxybutanoyl)-1H-pyrrol-2-yl]methylidene]-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-[4-(4-methylpiperazin-1-yl)butanoyl]-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[5-(4-morpholin-4-ylbutanoyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
CID 159098503
4-(6-benzylpyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-cyclohexyloxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(2-propan-2-ylhydrazinyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 159120101

Frequently Asked Questions

What is the IUPAC name of 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide (CID 161478815) is 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1)C(O)c1ccccc1.CC(O)CNc1cc(-c2c[nH]c(C(=O)NC(CO)c3ccccc3)c2)ncn1.CN(CC(O)c1ccccc1)C(=O)c1cc(-c2cc(Nc3ccccc3)ncn2)c[nH]1.O=C(NC(CO)c1ccccc1)c1cc(-c2cc(NC(CO)c3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2cc(Oc3ccccc3)ncn2)c[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2cc(NCC3CC3)ncn2)c[nH]1.
What is the InChIKey of 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is WEBQYQKCXISKSU-ZTHWTOBBSA-N. The full InChI is InChI=1S/C25H25N5O3.2C24H23N5O2.C23H19ClN4O3.C21H23N5O2.C20H23N5O3/c31-14-22(17-7-3-1-4-8-17)29-24-12-20(27-16-28-24)19-11-21(26-13-19)25(33)30-23(15-32)18-9-5-2-6-10-18;1-29(15-22(30)17-8-4-2-5-9-17)24(31)21-12-18(14-25-21)20-13-23(27-16-26-20)28-19-10-6-3-7-11-19;1-16(23(30)17-8-4-2-5-9-17)28-24(31)21-12-18(14-25-21)20-13-22(27-15-26-20)29-19-10-6-3-7-11-19;24-17-8-6-15(7-9-17)21(13-29)28-23(30)20-10-16(12-25-20)19-11-22(27-14-26-19)31-18-4-2-1-3-5-18;27-12-19(15-4-2-1-3-5-15)26-21(28)18-8-16(11-22-18)17-9-20(25-13-24-17)23-10-14-6-7-14;1-13(27)9-22-19-8-16(23-12-24-19)15-7-17(21-10-15)20(28)25-18(11-26)14-5-3-2-4-6-14/h1-13,16,22-23,26,31-32H,14-15H2,(H,30,33)(H,27,28,29);2-14,16,22,25,30H,15H2,1H3,(H,26,27,28);2-16,23,25,30H,1H3,(H,28,31)(H,26,27,29);1-12,14,21,25,29H,13H2,(H,28,30);1-5,8-9,11,13-14,19,22,27H,6-7,10,12H2,(H,26,28)(H,23,24,25);2-8,10,12-13,18,21,26-27H,9,11H2,1H3,(H,25,28)(H,22,23,24)/t;;;21-;19-;/m...11./s1.
What are the key properties of 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 2464.24 g/mol, XLogP of 20.03, 46 rotatable bonds, 24 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methyl-1H-pyrrole-2-carboxamide;4-(6-anilinopyrimidin-4-yl)-N-(1-hydroxy-1-phenylpropan-2-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-(6-phenoxypyrimidin-4-yl)-1H-pyrrole-2-carboxamide;4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-[6-(2-hydroxypropylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 161478815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).