5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride

C118H123BCl4F17N33O13 — CID 159592780

IUPAC5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.Cn1ccc2cc(-c3nc(Cl)ncc3C(F)(F)F)cnc21.Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C25H27F3N8O3.C25H29F3N8O.C20H14F4N6O3.C14H19BN2O2.C13H8ClF3N4.C7H7FN2O3.C6H15N.C5HCl2F3N2.C3H3ClO/c1-33(2)8-9-34(3)19-12-21(39-5)18(11-20(19)36(37)38)31-24-30-14-17(25(26,27)28)22(32-24)16-10-15-6-7-35(4)23(15)29-13-16;1-34(2)8-9-35(3)20-12-21(37-5)19(11-18(20)29)32-24-31-14-17(25(26,27)28)22(33-24)16-10-15-6-7-36(4)23(15)30-13-16;1-29-4-3-10-5-11(8-25-18(10)29)17-12(20(22,23)24)9-26-19(28-17)27-14-7-15(30(31)32)13(21)6-16(14)33-2;1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11;1-21-3-2-7-4-8(5-18-11(7)21)10-9(13(15,16)17)6-19-12(14)20-10;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;6-3-2(5(8,9)10)1-11-4(7)12-3;1-2-3(4)5/h6-7,10-14H,8-9H2,1-5H3,(H,30,31,32);6-7,10-14H,8-9,29H2,1-5H3,(H,31,32,33);3-9H,1-2H3,(H,26,27,28);6-9H,1-5H3;2-6H,1H3;2-3H,9H2,1H3;4-6H2,1-3H3;1H;2H,1H2
InChIKeyMKLINKVZPDHUIX-UHFFFAOYSA-N
MW2687.09 g/mol
LogP25.92
Rot. Bonds30

About 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride

5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride (PubChem CID 159592780) has the molecular formula C118H123BCl4F17N33O13 and a molecular weight of 2687.09 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride
PubChem CID159592780
Molecular FormulaC118H123BCl4F17N33O13
Molecular Weight2687.09 g/mol
Exact Mass2683.86
IUPAC Name5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.Cn1ccc2cc(-c3nc(Cl)ncc3C(F)(F)F)cnc21.Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C25H27F3N8O3.C25H29F3N8O.C20H14F4N6O3.C14H19BN2O2.C13H8ClF3N4.C7H7FN2O3.C6H15N.C5HCl2F3N2.C3H3ClO/c1-33(2)8-9-34(3)19-12-21(39-5)18(11-20(19)36(37)38)31-24-30-14-17(25(26,27)28)22(32-24)16-10-15-6-7-35(4)23(15)29-13-16;1-34(2)8-9-35(3)20-12-21(37-5)19(11-18(20)29)32-24-31-14-17(25(26,27)28)22(33-24)16-10-15-6-7-36(4)23(15)30-13-16;1-29-4-3-10-5-11(8-25-18(10)29)17-12(20(22,23)24)9-26-19(28-17)27-14-7-15(30(31)32)13(21)6-16(14)33-2;1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11;1-21-3-2-7-4-8(5-18-11(7)21)10-9(13(15,16)17)6-19-12(14)20-10;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;6-3-2(5(8,9)10)1-11-4(7)12-3;1-2-3(4)5/h6-7,10-14H,8-9H2,1-5H3,(H,30,31,32);6-7,10-14H,8-9,29H2,1-5H3,(H,31,32,33);3-9H,1-2H3,(H,26,27,28);6-9H,1-5H3;2-6H,1H3;2-3H,9H2,1H3;4-6H2,1-3H3;1H;2H,1H2
InChIKeyMKLINKVZPDHUIX-UHFFFAOYSA-N
XLogP25.92
TPSA524.20 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds30
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002687.09
LogP ≤ 525.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride (CID 159592780) is 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride is C=CC(=O)Cl.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-c2cnc3c(ccn3C)c2)n1.Cn1ccc2cc(-c3nc(Cl)ncc3C(F)(F)F)cnc21.Cn1ccc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.FC(F)(F)c1cnc(Cl)nc1Cl.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride?
The InChIKey is MKLINKVZPDHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O3.C25H29F3N8O.C20H14F4N6O3.C14H19BN2O2.C13H8ClF3N4.C7H7FN2O3.C6H15N.C5HCl2F3N2.C3H3ClO/c1-33(2)8-9-34(3)19-12-21(39-5)18(11-20(19)36(37)38)31-24-30-14-17(25(26,27)28)22(32-24)16-10-15-6-7-35(4)23(15)29-13-16;1-34(2)8-9-35(3)20-12-21(37-5)19(11-18(20)29)32-24-31-14-17(25(26,27)28)22(33-24)16-10-15-6-7-36(4)23(15)30-13-16;1-29-4-3-10-5-11(8-25-18(10)29)17-12(20(22,23)24)9-26-19(28-17)27-14-7-15(30(31)32)13(21)6-16(14)33-2;1-13(2)14(3,4)19-15(18-13)11-8-10-6-7-17(5)12(10)16-9-11;1-21-3-2-7-4-8(5-18-11(7)21)10-9(13(15,16)17)6-19-12(14)20-10;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;6-3-2(5(8,9)10)1-11-4(7)12-3;1-2-3(4)5/h6-7,10-14H,8-9H2,1-5H3,(H,30,31,32);6-7,10-14H,8-9,29H2,1-5H3,(H,31,32,33);3-9H,1-2H3,(H,26,27,28);6-9H,1-5H3;2-6H,1H3;2-3H,9H2,1H3;4-6H2,1-3H3;1H;2H,1H2.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride?
5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride has a molecular weight of 2687.09 g/mol, XLogP of 25.92, 30 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-b]pyridine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;prop-2-enoyl chloride is sourced from PubChem (CID 159592780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).