1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea

C136H132Cl2N30O13 — CID 157312688

IUPAC1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
SMILESCOc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12.Cc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1.Cc1cccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)c1.Cc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1
InChIInChI=1S/C23H23N5O3.3C23H23N5O2.2C22H20ClN5O2/c1-15-13-24-22-20(15)21(25-14-26-22)16-7-9-17(10-8-16)27-23(30)28(11-12-29)18-5-3-4-6-19(18)31-2;1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-4-3-5-19(12-15)28(10-11-29)23(30)27-18-8-6-17(7-9-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-5-3-4-6-19(15)28(11-12-29)23(30)27-18-9-7-17(8-10-18)21-20-16(2)13-24-22(20)26-14-25-21;1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18;1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-9,12-14,29H,10-11H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26);2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyBDFLHLBUPKTFRU-UHFFFAOYSA-N
MW2465.65 g/mol
LogP26.03
Rot. Bonds31

About 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea

1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea (PubChem CID 157312688) has the molecular formula C136H132Cl2N30O13 and a molecular weight of 2465.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
PubChem CID157312688
Molecular FormulaC136H132Cl2N30O13
Molecular Weight2465.65 g/mol
Exact Mass2463.00
IUPAC Name1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
SMILESCOc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12.Cc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1.Cc1cccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)c1.Cc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1
InChIInChI=1S/C23H23N5O3.3C23H23N5O2.2C22H20ClN5O2/c1-15-13-24-22-20(15)21(25-14-26-22)16-7-9-17(10-8-16)27-23(30)28(11-12-29)18-5-3-4-6-19(18)31-2;1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-4-3-5-19(12-15)28(10-11-29)23(30)27-18-8-6-17(7-9-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-5-3-4-6-19(15)28(11-12-29)23(30)27-18-9-7-17(8-10-18)21-20-16(2)13-24-22(20)26-14-25-21;1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18;1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-9,12-14,29H,10-11H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26);2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26)
InChIKeyBDFLHLBUPKTFRU-UHFFFAOYSA-N
XLogP26.03
TPSA574.07 Ų
H-Bond Donors18
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.65
LogP ≤ 526.03
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1025

Analyze 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-chloro-4-(cyclohexylamino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 4-(cyclohexylamino)-2-(2-methoxy-4-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;2-chloro-N-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;cyclohexanamine;4-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;2-methoxy-4-morpholin-4-ylaniline
CID 157097812
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine
CID 157134331
4-benzyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine;4-N-(4-chloro-3-methylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-isoquinolin-1-yl-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(4-methylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 157222592
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-chloro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indol-8-amine;4-[(1R,6S)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-[(6-amino-3-pyridinyl)oxy]-6-chloro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine;4-[(2S,3S)-2-amino-5-azaspiro[2.4]heptan-5-yl]-2-[(6-amino-3-pyridinyl)oxy]-6-chloro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine;4-N-[(2S)-2-aminocyclohexyl]-6-fluoro-8-N,5-dimethyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-pyrimido[4,5-b]indole-4,8-diamine
CID 157426376
N-(2-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-chloro-7-(6-piperazin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-(2-phenylethyl)pyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol
CID 157486591
1-(5-chloro-2-methoxyphenyl)-3-[1-[deuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,3-dihydroindol-4-yl]urea;1-(5-chloro-2-methoxyphenyl)-3-[1-[deuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]urea
CID 157826122
4-N-(3-chloro-4-methylphenyl)-2-N-[2-(1H-indol-3-yl)ethyl]-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-ethyl-2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxyphenyl)-2-N-methyl-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-[1-(1H-indol-3-yl)propan-2-yl]-2-N-methyl-4-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine;2-N-methyl-4-N-(4-methylphenyl)-2-N-(1-phenylpropan-2-yl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 157956512
N-(3-tert-butylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3,5-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine;N-phenyl-1H-indol-5-amine;N-(4-piperidin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 158175744
N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(2,3-dihydro-1H-inden-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(1H-indol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;[4-(2-phenoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 158204389
N-(2-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;N-(3-chlorophenyl)-6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-amine;2-chloro-7-(6-piperazin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-methylpyridin-2-amine;6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-(2-phenylethyl)pyridin-2-amine;2-[[6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2-pyridinyl]amino]ethanol
CID 158685197
4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;4-N-(7-chloro-1H-indol-4-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(1H-indol-4-yl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;methane;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-4-N-(7-methyl-1H-indol-4-yl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 158749111
4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
CID 158849905

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea (CID 157312688) is 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea is COc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12.Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12.Cc1ccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1.Cc1cccc(N(CCO)C(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)c1.Cc1ccccc1N(CCO)C(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea?
The InChIKey is BDFLHLBUPKTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.3C23H23N5O2.2C22H20ClN5O2/c1-15-13-24-22-20(15)21(25-14-26-22)16-7-9-17(10-8-16)27-23(30)28(11-12-29)18-5-3-4-6-19(18)31-2;1-15-3-9-19(10-4-15)28(11-12-29)23(30)27-18-7-5-17(6-8-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-4-3-5-19(12-15)28(10-11-29)23(30)27-18-8-6-17(7-9-18)21-20-16(2)13-24-22(20)26-14-25-21;1-15-5-3-4-6-19(15)28(11-12-29)23(30)27-18-9-7-17(8-10-18)21-20-16(2)13-24-22(20)26-14-25-21;1-14-12-24-21-19(14)20(25-13-26-21)15-2-6-17(7-3-15)27-22(30)28(10-11-29)18-8-4-16(23)5-9-18;1-14-12-24-21-19(14)20(25-13-26-21)15-5-7-17(8-6-15)27-22(30)28(9-10-29)18-4-2-3-16(23)11-18/h3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);3-9,12-14,29H,10-11H2,1-2H3,(H,27,30)(H,24,25,26);3-10,13-14,29H,11-12H2,1-2H3,(H,27,30)(H,24,25,26);2-9,12-13,29H,10-11H2,1H3,(H,27,30)(H,24,25,26);2-8,11-13,29H,9-10H2,1H3,(H,27,30)(H,24,25,26).
What are the key properties of 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea?
1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea has a molecular weight of 2465.65 g/mol, XLogP of 26.03, 31 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(4-chlorophenyl)-1-(2-hydroxyethyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(3-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea;1-(2-hydroxyethyl)-1-(4-methylphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea is sourced from PubChem (CID 157312688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).