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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea

C136H102Cl4F15N25O15S2 — CID 158488845

IUPAC1-[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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCCOC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.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.CSc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2c1NC(=O)C2.O=C1Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.O=C1Cc2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1
InChIInChI=1S/C26H24N6O.C24H18F3N3O3.C22H16ClF3N4O3S.C22H16ClF3N4O3.C21H14ClF3N4O3.C21H14ClF3N4O2S/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;1-2-33-23(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;1-34-18-9-12(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;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;2*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/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);3-11,13-14H,2,12H2,1H3;2-9H,10H2,1H3,(H,30,31)(H2,28,29,32);2-10H,11H2,1H3,(H2,28,29,32);2*1-9H,10H2,(H,29,30)(H2,27,28,31)
InChIKeyHILFCYDQLCWDGX-UHFFFAOYSA-N
MW2817.39 g/mol
LogP34.93
Rot. Bonds28

About 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea

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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 158488845) has the molecular formula C136H102Cl4F15N25O15S2 and a molecular weight of 2817.39 g/mol. Its IUPAC name is 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
PubChem CID158488845
Molecular FormulaC136H102Cl4F15N25O15S2
Molecular Weight2817.39 g/mol
Exact Mass2813.59
IUPAC Name1-[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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
SMILESCCOC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.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.CSc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2c1NC(=O)C2.O=C1Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.O=C1Cc2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1
InChIInChI=1S/C26H24N6O.C24H18F3N3O3.C22H16ClF3N4O3S.C22H16ClF3N4O3.C21H14ClF3N4O3.C21H14ClF3N4O2S/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;1-2-33-23(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;1-34-18-9-12(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;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;2*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/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);3-11,13-14H,2,12H2,1H3;2-9H,10H2,1H3,(H,30,31)(H2,28,29,32);2-10H,11H2,1H3,(H2,28,29,32);2*1-9H,10H2,(H,29,30)(H2,27,28,31)
InChIKeyHILFCYDQLCWDGX-UHFFFAOYSA-N
XLogP34.93
TPSA512.57 Ų
H-Bond Donors14
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002817.39
LogP ≤ 534.93
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1027

Analyze 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-[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)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;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

7-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-[2-(diethylamino)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;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 160943160
ethyl 7-[3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19416569
ethyl 7-[4-phenylmethoxy-3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969220
ethyl 7-[3-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19554027
1-cyclohexyl-3-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]urea
CID 44587528
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
ethyl 7-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19563727
4-[1-ethyl-3-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 86626184
CID 87724889
CID 87724889
ethyl 7-[3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19514355
1-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 148630828
7-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141184006

Frequently Asked Questions

What is the IUPAC name of 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-[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)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;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 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea (CID 158488845) is 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-[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)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;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 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-[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)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;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 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea is CCOC(=O)c1cnn2c(-c3cccc(CC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12.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.CSc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2c1NC(=O)C2.O=C1Cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.O=C1Cc2nccc(Sc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2N1.
What is the InChIKey of 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is HILFCYDQLCWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O.C24H18F3N3O3.C22H16ClF3N4O3S.C22H16ClF3N4O3.C21H14ClF3N4O3.C21H14ClF3N4O2S/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;1-2-33-23(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;1-34-18-9-12(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;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;2*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/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33);3-11,13-14H,2,12H2,1H3;2-9H,10H2,1H3,(H,30,31)(H2,28,29,32);2-10H,11H2,1H3,(H2,28,29,32);2*1-9H,10H2,(H,29,30)(H2,27,28,31).
What are the key properties of 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-[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)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;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea?
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-[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)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;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 2817.39 g/mol, XLogP of 34.93, 28 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[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)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;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 158488845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).