7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C117H92Cl3F15N22O12S2 — CID 160634920

About 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 160634920) has the molecular formula C117H92Cl3F15N22O12S2 and a molecular weight of 2453.63 g/mol. Its IUPAC name is 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 160634920
• Molecular Formula: C117H92Cl3F15N22O12S2
• Molecular Weight: 2453.63 g/mol
• Exact Mass: 2450.55
• IUPAC Name: 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: CCC(=O)c1cnn2c(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccnc12.CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12.CCOC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.CSc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2c1NC(=O)C2.O=C1Cc2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1
• InChI: InChI=1S/C27H27ClF3N7O2.C24H18F3N3O3.C23H17F3N4O2.C22H16ClF3N4O3S.C21H14ClF3N4O2S/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31;1-2-33-23(32)19-14-29-30-20(9-10-28-22(19)30)16-6-3-5-15(11-16)12-21(31)17-7-4-8-18(13-17)24(25,26)27;1-2-20(31)18-13-28-30-19(9-10-27-21(18)30)14-5-3-6-15(11-14)22(32)29-17-8-4-7-16(12-17)23(24,25)26;1-34-18-9-12(29-21(32)28-11-2-4-14(23)13(8-11)22(24,25)26)3-5-16(18)33-17-6-7-27-15-10-19(31)30-20(15)17;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/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40);3-11,13-14H,2,12H2,1H3;3-13H,2H2,1H3,(H,29,32);2-9H,10H2,1H3,(H,30,31)(H2,28,29,32);1-9H,10H2,(H,29,30)(H2,27,28,31)
• InChIKey: RIKJJQVWAJCTKE-UHFFFAOYSA-N
• XLogP: 28.51
• TPSA: 429.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2453.63
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 160634920) is 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is CCC(=O)c1cnn2c(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccnc12.CCN(CC)CCNC(=O)c1cnn2c(-c3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12.CCOC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.CSc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2c1NC(=O)C2.O=C1Cc2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.

What is the InChIKey of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is RIKJJQVWAJCTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClF3N7O2.C24H18F3N3O3.C23H17F3N4O2.C22H16ClF3N4O3S.C21H14ClF3N4O2S/c1-3-37(4-2)13-12-33-25(39)20-16-34-38-23(10-11-32-24(20)38)17-6-5-7-18(14-17)35-26(40)36-19-8-9-22(28)21(15-19)27(29,30)31;1-2-33-23(32)19-14-29-30-20(9-10-28-22(19)30)16-6-3-5-15(11-16)12-21(31)17-7-4-8-18(13-17)24(25,26)27;1-2-20(31)18-13-28-30-19(9-10-27-21(18)30)14-5-3-6-15(11-14)22(32)29-17-8-4-7-16(12-17)23(24,25)26;1-34-18-9-12(29-21(32)28-11-2-4-14(23)13(8-11)22(24,25)26)3-5-16(18)33-17-6-7-27-15-10-19(31)30-20(15)17;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/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,33,39)(H2,35,36,40);3-11,13-14H,2,12H2,1H3;3-13H,2H2,1H3,(H,29,32);2-9H,10H2,1H3,(H,30,31)(H2,28,29,32);1-9H,10H2,(H,29,30)(H2,27,28,31).

What are the key properties of 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?

7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2453.63 g/mol, XLogP of 28.51, 29 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-methylsulfanyl-4-[(2-oxo-1,3-dihydropyrrolo[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)sulfanyl]phenyl]urea;ethyl 7-[3-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;3-(3-propanoylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 160634920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).