2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea)

C120H101Cl3F6N26O9 — CID 159247175

About 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea) (PubChem CID 159247175) has the molecular formula C120H101Cl3F6N26O9 and a molecular weight of 2271.65 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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea).

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea)
• PubChem CID: 159247175
• Molecular Formula: C120H101Cl3F6N26O9
• Molecular Weight: 2271.65 g/mol
• Exact Mass: 2268.72
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea)
• SMILES: CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CN1C(=O)Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c21.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.O=C1Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1
• InChI: InChI=1S/2C26H24N6O.C25H23ClN6O.C22H16ClF3N4O3.C21H14ClF3N4O3/c2*1-3-32-16-23(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;1-30-19(31)11-17-20(30)18(8-9-27-17)33-14-5-2-12(3-6-14)28-21(32)29-13-4-7-16(23)15(10-13)22(24,25)26;22-15-6-3-12(9-14(15)21(23,24)25)28-20(31)27-11-1-4-13(5-2-11)32-17-7-8-26-16-10-18(30)29-19(16)17/h2*4-16H,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);2-10H,11H2,1H3,(H2,28,29,32);1-9H,10H2,(H,29,30)(H2,27,28,31)
• InChIKey: KUVCEKFIYCCNTR-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 446.76 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.65
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea) (CID 159247175) is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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.CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)n1.CN1C(=O)Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c21.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.O=C1Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea)?

The InChIKey is KUVCEKFIYCCNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24N6O.C25H23ClN6O.C22H16ClF3N4O3.C21H14ClF3N4O3/c2*1-3-32-16-23(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;1-30-19(31)11-17-20(30)18(8-9-27-17)33-14-5-2-12(3-6-14)28-21(32)29-13-4-7-16(23)15(10-13)22(24,25)26;22-15-6-3-12(9-14(15)21(23,24)25)28-20(31)27-11-1-4-13(5-2-11)32-17-7-8-26-16-10-18(30)29-19(16)17/h2*4-16H,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);2-10H,11H2,1H3,(H2,28,29,32);1-9H,10H2,(H,29,30)(H2,27,28,31).

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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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 2271.65 g/mol, XLogP of 28.81, 25 rotatable bonds, 14 hydrogen bond donors, and 21 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;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(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 159247175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).