2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea

C75H69Cl3N18O4S — CID 157064451

IUPAC2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1
InChIInChI=1S/C26H24N6O.C25H23ClN6O.C24H22Cl2N6O2S/c1-3-32-16-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)18-5-4-6-20(15-18)30-26(33)29-19-9-7-17(2)8-10-19;1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15;1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30);2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyABSCPDPJBPOTBY-UHFFFAOYSA-N
MW1424.92 g/mol
LogP17.05
Rot. Bonds20

About 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 157064451) has the molecular formula C75H69Cl3N18O4S and a molecular weight of 1424.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
PubChem CID157064451
Molecular FormulaC75H69Cl3N18O4S
Molecular Weight1424.92 g/mol
Exact Mass1422.45
IUPAC Name2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1
InChIInChI=1S/C26H24N6O.C25H23ClN6O.C24H22Cl2N6O2S/c1-3-32-16-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)18-5-4-6-20(15-18)30-26(33)29-19-9-7-17(2)8-10-19;1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15;1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30);2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29)
InChIKeyABSCPDPJBPOTBY-UHFFFAOYSA-N
XLogP17.05
TPSA295.88 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001424.92
LogP ≤ 517.05
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 157166918
1-[2-[[4-[4-(2-chlorophenyl)-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
CID 157731828
2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;methane
CID 158189220
2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;hydrochloride
CID 158521620
N-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;N-[3-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;1,4-dimethylpyrazole
CID 160582400
2-amino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide;2-methylpropane-2-sulfinamide
CID 160887999
2-(tert-butylsulfinylamino)-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-tert-butylsulfinylimino-2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 161564068
1-tert-butyl-3-[2-[[4-[4-(2-chlorophenyl)-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]urea;2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 161646230
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
CID 161649368

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea (CID 157064451) is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea is CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is ABSCPDPJBPOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.C25H23ClN6O.C24H22Cl2N6O2S/c1-3-32-16-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)18-5-4-6-20(15-18)30-26(33)29-19-9-7-17(2)8-10-19;1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15;1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30);2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 1424.92 g/mol, XLogP of 17.05, 20 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 157064451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).